ELEMENTS H C O N Ne Ar He Si S Cl END SPECIES Ar ! Ar He ! He Ne ! Ne N2 ! N2 DTBS(1) ! DTBS(1) H2S(2) ! H2S(2) C4H8(3) ! C4H8(3) C4H9SH(4) ! C4H9SH(4) C4H10(5) ! C4H10(5) S8(6) ! S8(6) S6J(7) ! S6J(7) S8J(8) ! S8J(8) S6(9) ! S6(9) S4J(10) ! S4J(10) S4(11) ! S4(11) S2(12) ! S2(12) S2JJ(13) ! S2JJ(13) C4H9S(14) ! C4H8JSH(14) C4H9SJ(15) ! C4H9SJ(15) HSJ(16) ! HSJ(16) HSSH(17) ! HSSH(17) C4H9(20) ! C[C](C)C(20) CH3(22) ! [CH3](22) C8H17S(23) ! [CH2]C(C)(C)SC(C)(C)C(23) H(24) ! [H](24) HS2(25) ! [S]S(25) C4H7(33) ! [CH2]C(=C)C(33) C4H8S2(35) ! C[C](C)CS[S](35) C8H17S(44) ! C[C](C)CSC(C)(C)C(44) C4H9S(45) ! C[C](C)CS(45) C4H9S2(80) ! [CH2]C(C)(C)SS(80) C4H7(86) ! C[C]1CC1(86) C4H7S2(90) ! C=C(C)CS[S](90) C8H15(104) ! C=C(C)CC[C](C)C(104) C8H14(124) ! C=C(C)CCC(=C)C(124) C8H13(150) ! C=C(C)[CH]CC(=C)C(150) C8H14(154) ! C[C]1CC[C](C)CC1(154) S(164) ! [CH2]C(C)(CCC(=C)C)SC(C)(C)C(164) S(165) ! C=C(C)CC[C](C)CSC(C)(C)C(165) S(166) ! [CH2]C(C)(S)CCC(=C)C(166) S(167) ! C=C(C)CC[C](C)CS(167) S(203) ! C[C](C)CSS(203) C8H13(441) ! C[C]1CC=C(C)CC1(441) C8H14(443) ! CC1=CCC(C)CC1(443) C8H13(506) ! C=C(C)[CH]C=C(C)C(506) C8H12(514) ! [CH2]C(C)=C[CH]C(=C)C(514) C8H13(520) ! [CH2]C1(C)CC1C(=C)C(520) C8H12(521) ! C=C(C)C=CC(=C)C(521) S(525) ! C=C(C)CC=C(C)CS[S](525) S(530) ! C=C(C)CC(S[S])C(=C)C(530) C8H14(539) ! C=C(C)CC=C(C)C(539) C8H13(649) ! C[C]1CCC2(C)CC12(649) C8H12(735) ! CC1=CC=C(C)CC1(735) C8H13(739) ! CC1=CCC(C)[CH]C1(739) C8H13(740) ! CC1=C[CH]C(C)CC1(740) C8H13(741) ! [CH2]C1CC=C(C)CC1(741) C8H13(742) ! CC1[CH]CC(C)CC=1(742) C8H13(744) ! [CH2]C1=CCC(C)CC1(744) C8H13(807) ! [CH2]C1(C)C=C(C)CC1(807) C8H13(817) ! CC1C[CH]C2(C)CC12(817) C8H13(853) ! CC12[CH]C(C)(CC1)C2(853) S(978) ! C=C1CCC(C)CC1S[S](978) S(1217) ! C[C]1CCC2CC1C2(1217) S(1218) ! CC12[CH]CC(CC1)C2(1218) S(1311) ! [CH2]CC1CC=C(C)C1(1311) S(1368) ! C[C]1CC2CCC1C2(1368) S(1476) ! [CH2]C1CCC=C(C)C1(1476) S(1487) ! C=C(C)C1C[CH]CC1(1487) S(1507) ! CC1CC2CCC1C2(1507) S(1549) ! CC1[CH]C(C)CCC=1(1549) S(1551) ! CC1=C[CH]CC(C)C1(1551) S(1769) ! C[C]1C2CC(C)CC12(1769) S(1779) ! CC1=CCC(C)CC1S[S](1779) S(1837) ! CC1=CC(S[S])C(C)CC1(1837) S(1840) ! CC1C=CC(C)(CC1)S[S](1840) S(1965) ! [CH2]C1C=CCC(C)C1(1965) S(1968) ! CC1[CH]C=CC(C)C1(1968) S(1983) ! CC1CC=CC(C)(C1)S[S](1983) S(2061) ! C[C]1C2CCC(C)C12(2061) S(2082) ! C[C]1C=C(C)CCC1(2082) S(2083) ! [CH2]C1C=C(C)CCC1(2083) S(2086) ! CC1=CCCC(C)C1S[S](2086) S(2089) ! CC1=CC(C)CCC1S[S](2089) S(2099) ! CC1=CC(C)CCC1(2099) S(2163) ! C[C]1CCCC2CC12(2163) S(2260) ! CC1=CC[CH]CCC1(2260) S(2306) ! CC12[CH]CC1CCC2(2306) S(2392) ! CC1=CC(C)(CCC1)S[S](2392) S(2490) ! CC1C[CH]C2CC2C1(2490) S(2592) ! CC1C[CH]CC=CC1(2592) S(2637) ! CC1CC2[CH]CC2C1(2637) S(2919) ! CC1C[CH]C(C)(CC1)SC(C)(C)C(2919) S(2920) ! C[C]1CCC(C)CC1SC(C)(C)C(2920) S(2927) ! CC1C[CH]C(C)(S)CC1(2927) S(2928) ! C[C]1CCC(C)CC1S(2928) S(3191) ! C[C]1CCC(C)CC1SS(3191) S(3383) ! C=C(C)[CH]SS(3383) S(3384) ! [CH2]C(=C)CSS(3384) S(4420) ! C[C]1CCCC2(C)SSC12(4420) S(4421) ! CC12[CH]C(C)(CCC1)SS2(4421) S(4688) ! CC1CCC2(C)[CH]C1SS2(4688) S(4766) ! [CH2]C(=C)C(CC(=C)C)SS(4766) S(4842) ! C[C]1CCC(C)C2SSC12(4842) S(4998) ! C=C(C)C[CH]C(=C)CSS(4998) S(5073) ! CC1C[CH]C2(C)SSC2C1(5073) S(5074) ! C[C]1C2CC(C)CC1SS2(5074) S(5085) ! [CH2]C1=CCC(C)CC1SS(5085) S(5345) ! C[C]1C2CCC(C)C1SS2(5345) S(5358) ! [CH2]C1=CCCC(C)C1SS(5358) S(5416) ! [CH2]C1(C)CC=C(C)CSS1(5416) S(5433) ! C=C(C)[CH]C=C(C)CS[S](5433) S(5528) ! C=C(C)CCC(=C)CS[S](5528) S(5657) ! C=C1CCCC(C)C1S[S](5657) S(5660) ! C=C1[CH]C(C)CCC1SS(5660) S(6088) ! C=C1CC(C)CCC1S[S](6088) S(6398) ! C=C(C)C=S(6398) S(6410) ! CC(C)=CS[S](6410) S(6417) ! [CH2]C(C)=CSSC(C)(C)C(6417) S(6452) ! [CH2]C(C)=CSCC(=C)C(6452) S(7161) ! [CH2]C(C)(C)SSC=C(C)C(7161) S(7670) ! C=C(C)[C]=S(7670) S(8546) ! C=C(C)CCC(C)C(8546) S(8698) ! C[C](CS)CCC(C)C(8698) S(8828) ! C[C](CS)CC=C(C)C(8828) S(9017) ! C[C](C)C1CC1(C)CS(9017) S(9203) ! CC(C)=CC=C(C)CS[S](9203) S(9208) ! C=C(C)C(C=C(C)C)S[S](9208) S(9210) ! C=C(C)C=CC(C)(C)S[S](9210) S(9515) ! [CH2]C(C)=CSCC(C)=CC=C(C)C(9515) S(9534) ! [CH2]C(C)=CSC(C=C(C)C)C(=C)C(9534) S(9554) ! [CH2]C(C)=CSC(C)(C)C=CC(=C)C(9554) S(9808) ! C=C(C)C1C=C(C)C1(9808) S(10047) ! CC1[CH]CC(C)=CC=1(10047) S(10429) ! C[C]1C=CC2(C)CC12(10429) S(10431) ! CC1C=CC(C)=CC=1(10431) S(11190) ! CC1=CC2C(C)=CC1CC2(C)C(11190) S(11191) ! CC12C=CC(C)(C=C1)C(C)(C)C2(11191) S(11384) ! CC1=CC=C(C)CSSC1(11384) S(11398) ! C=C(C)C1C=C(C)CSS1(11398) S(11414) ! C=C(C)C=CC1(C)CSS1(11414) S(11955) ! [CH2]C(=CC=C(C)C)CSS(11955) S(12040) ! C=C(CC=C(C)C)CS[S](12040) S(12964) ! C[C]1CC1=S(12964) S(12992) ! [CH2]C(C)(C)C(=S)C(=C)C(12992) S(12993) ! C=C(C)C(=S)C[C](C)C(12993) S(13752) ! [CH2]C(C)=CSC(=S)C(=C)C(13752) S(14191) ! C=C(C)C(=S)C1C=C(C)C=C[C]1C(14191) END THERM ALL 300.000 1000.000 5000.000 ! Thermo library: primaryThermoLibrary Ar Ar1 G200.000 6000.000 1000.00 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45375000E+02 4.37967000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45375000E+02 4.37967000E+00 4 ! Thermo library: primaryThermoLibrary He He1 G200.000 6000.000 1000.00 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45375000E+02 9.28724000E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45375000E+02 9.28724000E-01 4 ! Thermo library: primaryThermoLibrary Ne Ne1 G200.000 6000.000 1000.00 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45375000E+02 3.35532000E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45375000E+02 3.35532000E+00 4 ! Thermo library: primaryThermoLibrary N2 N 2 G200.000 6000.000 1000.00 1 2.95258000E+00 1.39690000E-03-4.92632000E-07 7.86010000E-11-4.60755000E-15 2 -9.23949000E+02 5.87189000E+00 3.53101000E+00-1.23661000E-04-5.02999000E-07 3 2.43531000E-09-1.40881000E-12-1.04698000E+03 2.96747000E+00 4 ! Thermo group additivity estimation: group(Ss-CsCs) + gauche(Ss(CsCs)) + int15(Ss(Cs(CsCsCs)Cs(CsCsCs))) + other(R) + group(Cs-CsCsCsSs) + ! gauche(Cs(RRRR)) + other(R) + group(Cs-CsCsCsSs) + gauche(Cs(RRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + ! gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + ! gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) DTBS(1) C 8 H 18 S 1 G100.000 5000.000 1427.40 1 2.36868498E+01 4.78973509E-02-1.86236366E-05 3.30312481E-09-2.21674880E-13 2 -3.39887914E+04-9.98311900E+01-2.08012423E+00 1.20103536E-01-9.45017719E-05 3 3.87417104E-08-6.42846954E-12-2.66327795E+04 3.36490585E+01 4 ! Thermo library: SulfurLibrary H2S(2) H 2 S 1 G100.000 5000.000 1152.48 1 2.72656721E+00 4.04500175E-03-1.50904116E-06 2.58400214E-10-1.68682617E-14 2 -3.40789455E+03 8.17328086E+00 4.06966854E+00-1.40458986E-03 6.60942588E-06 3 -5.03110231E-09 1.25924410E-12-3.66514346E+03 1.73002032E+00 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs ! -(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) C4H8(3) C 4 H 8 G100.000 5000.000 1089.91 1 6.76121103E+00 2.51856624E-02-1.00460728E-05 1.83698028E-09-1.26818532E-13 2 -5.58449882E+03-1.17954230E+01 2.44002306E+00 2.85380566E-02 2.55237588E-06 3 -1.63973690E-08 6.47065519E-12-3.89973401E+03 1.28315769E+01 4 ! Thermo library: SulfurLibrary C4H9SH(4) C 4 H 10 S 1 G100.000 5000.000 1351.73 1 1.42060897E+01 2.25745033E-02-7.93528715E-06 1.33509793E-09-8.71407982E-14 2 -1.92907797E+04-4.76036567E+01 7.94536406E-01 6.22614292E-02-5.19752666E-05 3 2.30553188E-08-4.10424072E-12-1.56650060E+04 2.11414309E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + gauche(Cs(CsCsCsR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group ! (Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) C4H10(5) C 4 H 10 G100.000 5000.000 991.34 1 8.10852600E+00 2.78372219E-02-1.04376804E-05 1.90941803E-09-1.34680298E-13 2 -2.07731589E+04-2.06070052E+01 2.37162918E+00 2.53349168E-02 3.21604748E-05 3 -5.28382516E-08 2.02540531E-11-1.83753239E+04 1.33773414E+01 4 ! Thermo library: SulfurLibrary S8(6) S 8 G100.000 5000.000 905.38 1 1.26987985E+01 1.80731383E-02-1.07087983E-05 1.99003555E-09-1.26375586E-13 2 8.20044341E+03-1.99109756E+01-8.75052236E-01 1.27614307E-01-2.74321126E-04 3 2.56572927E-07-8.71224654E-11 8.62663671E+03 3.30055473E+01 4 ! Thermo group additivity estimation: group(Ss-SsSs) + gauche(Ss(RR)) + other(R) + group(Ss-SsSs) + gauche(Ss(RR)) + other(R) + group(Ss-SsSs) + ! gauche(Ss(RR)) + other(R) + group(Ss-SsSs) + gauche(Ss(RR)) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + ! other(R) + radical(SJ-Ss-Ss) + radical(SJ-Ss-Ss) S6J(7) S 6 G100.000 5000.000 898.19 1 6.75843113E+00 1.80577736E-02-1.13568266E-05 2.17879471E-09-1.42244212E-13 2 2.69242218E+04 1.28129796E+01 5.72318009E-01 9.58638380E-02-2.25225661E-04 3 2.23216028E-07-7.90048151E-11 2.60082739E+04 3.07081685E+01 4 ! Thermo group additivity estimation: group(Ss-SsSs) + gauche(Ss(RR)) + other(R) + group(Ss-SsSs) + gauche(Ss(RR)) + other(R) + group(Ss-SsSs) + ! gauche(Ss(RR)) + other(R) + group(Ss-SsSs) + gauche(Ss(RR)) + other(R) + group(Ss-SsSs) + gauche(Ss(RR)) + other(R) + group(Ss-SsSs) + gauche(Ss(RR)) ! + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(SJ-Ss-Ss) + radical(SJ-Ss-Ss) S8J(8) S 8 G100.000 5000.000 893.76 1 8.04565892E+00 2.96988864E-02-1.91262712E-05 3.71570732E-09-2.45303332E-13 2 2.96095211E+04 1.47102599E+01-1.45187093E+00 1.52993728E-01-3.61639834E-04 3 3.60336635E-07-1.28287557E-10 2.80804693E+04 4.14120879E+01 4 ! Thermo library: SulfurLibrary S6(9) S 6 G100.000 5000.000 913.81 1 1.09765315E+01 7.26378999E-03-4.10204823E-06 7.30731449E-10-4.42751487E-14 2 8.88588663E+03-2.04103367E+01 1.11676891E+00 7.24295272E-02-1.47193982E-04 3 1.31476858E-07-4.30236889E-11 9.76903835E+03 2.12411195E+01 4 ! Thermo group additivity estimation: group(Ss-SsSs) + gauche(Ss(RR)) + other(R) + group(Ss-SsSs) + gauche(Ss(RR)) + other(R) + group(Ss-SsH) + ! gauche(Ss(RR)) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(SJ-Ss-Ss) + radical(SJ-Ss-Ss) S4J(10) S 4 G100.000 5000.000 916.99 1 5.45806060E+00 6.43882202E-03-3.60008637E-06 6.44870147E-10-3.94321303E-14 2 2.42444869E+04 1.09897410E+01 2.59614633E+00 3.87419341E-02-8.88612031E-05 3 8.62011867E-08-2.97907257E-11 2.39360937E+04 2.00053335E+01 4 ! Thermo library: SulfurLibrary S4(11) S 4 G100.000 5000.000 936.19 1 9.11017689E+00 1.15286445E-03-4.92694714E-07 5.99292863E-11-1.75073869E-15 2 1.46922957E+04-1.63132561E+01 2.53110004E+00 3.40637073E-02-6.09157681E-05 3 4.85650914E-08-1.44172674E-11 1.57137627E+04 1.38695563E+01 4 ! Thermo library: primaryThermoLibrary S2(12) S 2 G100.000 5000.000 925.37 1 4.54001518E+00-3.90140609E-04 3.06207016E-07-5.72877415E-11 3.43917372E-15 2 2.22820321E+04 1.07837060E+00 3.36896636E+00 1.75302165E-03 1.56352149E-06 3 -4.37170712E-09 2.08991226E-12 2.26237326E+04 7.31241907E+00 4 ! Thermo library: primaryThermoLibrary S2JJ(13) S 2 G100.000 5000.000 871.67 1 4.18226624E+00 1.76352879E-04 1.71498656E-07-4.78080198E-11 3.58368766E-15 2 1.41612101E+04 3.42901563E+00 3.38754449E+00 1.74492755E-03 1.04864372E-06 3 -3.45392028E-09 1.76495570E-12 1.43787142E+04 7.60684247E+00 4 ! Thermo library: SulfurLibrary + radical(Cs_P) C4H9S(14) C 4 H 9 S 1 G100.000 5000.000 1232.01 1 1.30995813E+01 2.17253242E-02-7.98915061E-06 1.39432003E-09-9.34502595E-14 2 6.03125616E+03-3.75986225E+01 1.01397800E+00 6.09642115E-02-5.57636671E-05 3 2.72462755E-08-5.33937149E-12 9.00915522E+03 2.32289798E+01 4 ! Thermo library: SulfurLibrary C4H9SJ(15) C 4 H 9 S 1 G100.000 5000.000 1047.28 1 1.11210083E+01 2.53820840E-02-9.79294631E-06 1.77909720E-09-1.23317955E-13 2 -3.08470398E+02-3.17398290E+01 1.51707556E+00 4.67799679E-02-1.85503473E-05 3 -6.58100076E-09 5.19878381E-12 2.54127535E+03 1.90387954E+01 4 ! Thermo library: SulfurLibrary HSJ(16) H 1 S 1 G100.000 5000.000 929.23 1 2.25429342E+00 2.88410814E-03-1.38693538E-06 2.39149776E-10-1.44299058E-14 2 1.61465071E+04 1.03127795E+01 3.39829266E+00 4.94650815E-03-1.59946242E-05 3 1.88108789E-08-7.18791719E-12 1.56322493E+04 3.25449851E+00 4 ! Thermo library: SulfurLibrary HSSH(17) H 2 S 2 G100.000 5000.000 991.68 1 6.38197580E+00 3.01516525E-03-1.14411851E-06 2.19392833E-10-1.62460449E-14 2 -5.44463623E+02-7.37304686E+00 3.45493357E+00 9.72398589E-03-3.58131216E-06 3 -3.32558153E-09 2.18414654E-12 2.86731247E+02 7.98758071E+00 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + gauche(Cs(CsCsCsR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group ! (Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + radical(Tertalkyl) C4H9(20) C 4 H 9 G100.000 5000.000 1673.56 1 7.58100591E+00 2.71241512E-02-1.09449800E-05 1.90689610E-09-1.23453695E-13 2 1.10081710E+03-1.63008985E+01 2.58813325E+00 3.09400145E-02-7.08932469E-06 3 -2.52732982E-09 9.71895650E-13 3.90879605E+03 1.37542811E+01 4 ! Thermo library: primaryThermoLibrary + radical(CH3) CH3(22) C 1 H 3 G100.000 5000.000 1337.63 1 3.54146159E+00 4.76786209E-03-1.82148094E-06 3.28875850E-10-2.22545011E-14 2 1.62239559E+04 1.66032608E+00 3.91546733E+00 1.84154615E-03 3.48740903E-06 3 -3.32746709E-09 8.49953855E-13 1.62856394E+04 3.51742525E-01 4 ! Thermo group additivity estimation: group(Ss-CsCs) + gauche(Ss(CsCs)) + int15(Ss(Cs(CsCsCs)Cs(CsCsCs))) + other(R) + group(Cs-CsCsCsSs) + ! gauche(Cs(RRRR)) + other(R) + group(Cs-CsCsCsSs) + gauche(Cs(RRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + ! gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + ! gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + radical(Cs_P) C8H17S(23) C 8 H 17 S 1 G100.000 5000.000 1352.54 1 2.20784672E+01 4.78163322E-02-1.90638963E-05 3.43466455E-09-2.33111306E-13 2 -8.42889445E+03-8.62557843E+01-1.83833704E+00 1.18547749E-01-9.75066511E-05 3 4.20990220E-08-7.37972034E-12-1.95919767E+03 3.63515073E+01 4 ! Thermo library: primaryThermoLibrary H(24) H 1 G100.000 5000.000 4570.96 1 2.49829732E+00 1.45963990E-06-4.69032548E-10 6.69551836E-14-3.58258629E-18 2 2.54758061E+04-4.34136157E-01 2.50000000E+00 1.77470207E-12-2.27500193E-15 3 9.48631670E-19-1.21629755E-22 2.54742178E+04-4.44972895E-01 4 ! Thermo library: SulfurLibrary HS2(25) H 1 S 2 G100.000 5000.000 934.14 1 5.03975127E+00 1.39914744E-03-3.44044706E-07 5.55891331E-11-4.13761091E-15 2 1.10262800E+04 1.25794535E+00 3.78939085E+00 3.25647643E-03 2.28845065E-06 3 -5.83034035E-09 2.64352258E-12 1.14124473E+04 8.02163370E+00 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs ! -(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + radical(Allyl_P) C4H7(33) C 4 H 7 G100.000 5000.000 994.04 1 8.55632232E+00 1.99500797E-02-7.49045128E-06 1.37082081E-09-9.67454753E-14 2 1.21874636E+04-2.09766059E+01 2.47227814E+00 2.57022097E-02 1.20928211E-05 3 -3.07179496E-08 1.27406708E-11 1.43223947E+04 1.29936190E+01 4 ! Thermo group additivity estimation: group(Cs-CsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-CsCsCsH) + gauche(Cs(CsCsCsR)) + other(R) + group(Cs- ! CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + ! group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(Tertalkyl) + radical(SJ-Ss-Cs) C4H8S2(35) C 4 H 8 S 2 G100.000 5000.000 811.79 1 4.21229320E+00 3.90757687E-02-1.80914678E-05 3.42496649E-09-2.36182661E-13 2 1.99374762E+04 1.60936651E+01 1.36483178E+00 6.41955935E-02-8.49973023E-05 3 7.51970712E-08-2.75212286E-11 2.00343864E+04 2.69867291E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsSs) + gauche(Cs(RRRR)) + other(R) + group(Cs-CsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cs- ! CsCsCsH) + gauche(Cs(CsCsCsR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group ! (Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Ss-CsCs) + gauche(Ss(CsCs)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + ! group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + radical(Tertalkyl) C8H17S(44) C 8 H 17 S 1 G100.000 5000.000 895.25 1 9.56131493E+00 6.84544371E-02-3.04313205E-05 5.76176947E-09-4.02136232E-13 2 -7.14899966E+03-1.38600184E+01-9.16436530E-01 1.15272093E-01-1.08879435E-04 3 6.41832871E-08-1.67174122E-11-5.27307021E+03 3.55290635E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + gauche(Cs(CsCsCsR)) + other(R) + group(Cs-CsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cs- ! CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Ss-CsH) + gauche(Ss(Cs(CsHH)H)) + ! other(R) + radical(Tertalkyl) C4H9S(45) C 4 H 9 S 1 G100.000 5000.000 806.36 1 3.17251821E+00 3.90303463E-02-1.76809772E-05 3.32774202E-09-2.29239506E-13 2 8.25424267E+03 1.69979526E+01 1.70442088E+00 5.57321350E-02-6.62715814E-05 3 5.79868683E-08-2.16667784E-11 8.18478060E+03 2.18658886E+01 4 ! Thermo library: SulfurLibrary + radical(Cs_P) C4H9S2(80) C 4 H 9 S 2 G100.000 5000.000 1060.10 1 1.27775041E+01 2.88923856E-02-1.23736471E-05 2.32269180E-09-1.61932963E-13 2 6.71150803E+03-3.37687280E+01 6.41632731E-01 7.46839238E-02-7.71670468E-05 3 4.30695177E-08-9.77115146E-12 9.28454890E+03 2.54880941E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + ! other(R) + ring(Cyclopropane) + radical(Tertalkyl) C4H7(86) C 4 H 7 G100.000 5000.000 1002.21 1 5.32403392E+00 2.34977529E-02-9.10166911E-06 1.68909853E-09-1.19701859E-13 2 2.19496993E+04-2.07023375E+00 3.11402156E+00 1.12056339E-02 4.08953031E-05 3 -5.25887465E-08 1.86633021E-11 2.34529742E+04 1.38864876E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cs ! -(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Ss- ! SsH) + gauche(Ss(RR)) + other(R) + radical(SJ-Ss-Cs) C4H7S2(90) C 4 H 7 S 2 G100.000 5000.000 830.86 1 1.02612278E+01 2.68925547E-02-1.17784386E-05 2.16229440E-09-1.46156856E-13 2 1.04405655E+04-1.97381287E+01 7.15662188E-01 7.65247696E-02-1.08020789E-04 3 8.47118574E-08-2.65874311E-11 1.18998493E+04 2.37811774E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsHH) + gauche(Cs(Cs(CsCsR)CsRR)) + other(R) + group(Cs-(Cds-Cds)CsHH) + gauche(Cs(Cs(CsRR)RRR)) + ! other(R) + group(Cs-CsCsCsH) + gauche(Cs(Cs(CsRR)CsCsR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsHHH) + ! gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(Cs(CsRR)Cs)) + other(R) + ! group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + radical(Tertalkyl) C8H15(104) C 8 H 15 G100.000 5000.000 1204.52 1 6.76723168E+00 6.17666160E-02-2.72619272E-05 5.13920859E-09-3.57131949E-13 2 4.97805843E+03-9.94423009E-01 5.80151941E-01 8.23126675E-02-5.28479216E-05 3 1.93002016E-08-3.29624564E-12 6.46856207E+03 3.00060064E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-(Cds-Cds)CsHH) + gauche(Cs(CsRRR)) + other(R) + ! group(Cds-CdsCsCs) + gauche(Cd(Cs(CsRR)Cs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(Cs(CsRR)Cs)) + other(R) + group(Cs-(Cds-Cds)HHH) + ! gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Cds-CdsHH) ! + gauche(CsOsCdSs) + other(R) C8H14(124) C 8 H 14 G100.000 5000.000 1672.74 1 1.76348008E+01 4.15430625E-02-1.64571650E-05 2.90411764E-09-1.92257297E-13 2 -7.55051530E+03-6.43173202E+01-2.29997137E-01 8.42631644E-02-5.47658919E-05 3 1.81720645E-08-2.47414794E-12-1.57391896E+03 3.10606729E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs ! -(Cds-Cds)(Cds-Cds)HH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsH) + gauche(CsOsCdSs) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + ! other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + ! gauche(CsOsCdSs) + other(R) + radical(Allyl_P) C8H13(150) C 8 H 13 G100.000 5000.000 1642.02 1 1.89636116E+01 3.68965985E-02-1.42213368E-05 2.47747004E-09-1.62945749E-13 2 8.98461015E+03-7.14280794E+01-3.75016760E-01 8.40055046E-02-5.72553294E-05 3 1.99492738E-08-2.82302829E-12 1.53355544E+04 3.14603620E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + ring(Cyclohexane) + ! radical(Tertalkyl) + radical(Tertalkyl) C8H14(154) C 8 H 14 G100.000 5000.000 1360.98 1 9.47111020E+00 5.88019055E-02-2.62184404E-05 4.90728930E-09-3.36270202E-13 2 1.50749385E+04-2.62265088E+01 1.06754274E+00 5.76625611E-02 3.51467853E-06 3 -2.36068302E-08 7.46395038E-12 1.97552745E+04 2.56970600E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsSs) + gauche(Cs(RRRR)) + other(R) + group(Cs-CsCsCsSs) + gauche(Cs(RRRR)) + other(R) + group(Cs- ! CsCsHH) + gauche(Cs(CsCsRR)) + other(R) + group(Cs-(Cds-Cds)CsHH) + gauche(Cs(Cs(CsRR)RRR)) + other(R) + group(Ss-CsCs) + gauche(Ss(CsCs)) + ! int15(Ss(Cs(CsCsCs)Cs(CsCsCs))) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group ! (Cds-CdsCsCs) + gauche(Cd(Cs(CsRR)Cs)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + ! group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) ! + radical(Cs_P) S(164) C 12 H 23 S 1 G100.000 5000.000 1242.05 1 2.55222367E+01 7.62058440E-02-3.21452672E-05 5.96240272E-09-4.11885420E-13 2 -7.12238943E+03-9.67137685E+01-3.97093420E+00 1.71189648E-01-1.46857284E-04 3 6.75347564E-08-1.28053823E-11 2.03888065E+02 5.19662803E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + gauche(Cs(CsCsCsR)) + other(R) + group(Cs-CsCsHH) + gauche(Cs(Cs(CsCsR)CsRR)) + other(R) + ! group(Cs-CsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-CsCsCsSs) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)CsHH) + gauche(Cs(Cs(CsRR)RRR)) ! + other(R) + group(Ss-CsCs) + gauche(Ss(CsCs)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsHHH) + ! gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cds-CdsCsCs) + ! gauche(Cd(Cs(CsRR)Cs)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + ! radical(Tertalkyl) S(165) C 12 H 23 S 1 G100.000 5000.000 912.67 1 1.37130707E+01 9.58087644E-02-4.29848713E-05 8.17671497E-09-5.72293679E-13 2 -5.99774866E+03-2.77282787E+01-3.26319018E+00 1.70210227E-01-1.65263954E-04 3 9.74949955E-08-2.50381152E-11-2.89895545E+03 5.26213259E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsSs) + gauche(Cs(RRRR)) + other(R) + group(Cs-CsCsHH) + gauche(Cs(CsCsRR)) + other(R) + group(Cs ! -(Cds-Cds)CsHH) + gauche(Cs(Cs(CsRR)RRR)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(Cs(CsRR)Cs)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + ! other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Ss-CsH) + gauche(Ss(CsH)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + ! other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + radical(Cs_P) S(166) C 8 H 15 S 1 G100.000 5000.000 1107.13 1 1.41380685E+01 5.58696289E-02-2.43863734E-05 4.59273903E-09-3.20032794E-13 2 7.84892033E+03-3.67258662E+01-8.74040944E-01 1.10107314E-01-9.78702126E-05 3 4.88413877E-08-1.03117344E-11 1.11730066E+04 3.72267499E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + gauche(Cs(CsCsCsR)) + other(R) + group(Cs-CsCsHH) + gauche(Cs(Cs(CsCsR)CsRR)) + other(R) + ! group(Cs-(Cds-Cds)CsHH) + gauche(Cs(Cs(CsRR)RRR)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(Cs(CsRR)Cs)) + other(R) + group(Cs-CsSsHH) + ! gauche(Cs(RRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Ss- ! CsH) + gauche(Ss(Cs(CsHH)H)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + radical(Tertalkyl) S(167) C 8 H 15 S 1 G100.000 5000.000 517.78 1 6.93515768E+00 6.71564521E-02-3.07290474E-05 5.86853599E-09-4.10421629E-13 2 9.53638679E+03 5.25090727E+00 1.11573404E-01 9.87125084E-02-6.08508471E-05 3 -3.42703484E-08 5.70764421E-11 1.05266260E+04 3.64182313E+01 4 ! Thermo group additivity estimation: group(Cs-CsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-CsCsCsH) + gauche(Cs(CsCsCsR)) + other(R) + group(Cs- ! CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + ! group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(Tertalkyl) S(203) C 4 H 9 S 2 G100.000 5000.000 816.08 1 4.98035452E+00 4.19992028E-02-1.96751067E-05 3.73395682E-09-2.57460437E-13 2 1.00663984E+04 1.17868854E+01 9.25671489E-01 7.50034657E-02-1.04473264E-04 3 9.27227193E-08-3.35584208E-11 1.02909616E+04 2.78454696E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! ring(Cyclohexene) + radical(Tertalkyl) C8H13(441) C 8 H 13 G100.000 5000.000 1076.65 1 1.06752503E+01 4.92347030E-02-2.02587403E-05 3.78769826E-09-2.65670882E-13 2 7.30571825E+03-3.00860097E+01 9.12859733E-01 5.42200797E-02 1.63812426E-05 3 -4.58885710E-08 1.75360915E-11 1.12210311E+04 2.61533630E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! ring(Cyclohexene) C8H14(443) C 8 H 14 G100.000 5000.000 990.29 1 1.51151329E+01 4.43307936E-02-1.69004907E-05 3.17931076E-09-2.29924874E-13 2 -1.66091501E+04-5.78389183E+01 8.57611331E-01 4.65369932E-02 6.36467325E-05 3 -1.07519564E-07 4.19731009E-11-1.10696890E+04 2.45176091E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + ! group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-Cds(Cds-Cds)H) + ! gauche(CsOsCdSs) + other(R) + group(Cds-Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds- ! CdsCsCs) + gauche(Cd(CsCs)) + other(R) + radical(C=CC=CCJ) C8H13(506) C 8 H 13 G100.000 5000.000 1129.44 1 1.51479145E+01 4.20744665E-02-1.62351330E-05 2.89690407E-09-1.96694821E-13 2 3.15372674E+03-5.11530872E+01-1.83964773E-01 8.10477929E-02-4.76414800E-05 3 9.42090195E-09 1.01849071E-12 7.59452300E+03 2.90079814E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + ! group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-Cds(Cds-Cds)H) + ! gauche(CsOsCdSs) + other(R) + group(Cds-Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds- ! CdsCsCs) + gauche(Cd(CsCs)) + other(R) + radical(C=CC=CCJ) + radical(C=CC=CCJ) C8H12(514) C 8 H 12 G100.000 5000.000 1000.18 1 1.47873653E+01 3.97984406E-02-1.47220182E-05 2.62037863E-09-1.80411539E-13 2 1.75059065E+04-4.93671483E+01 2.02755718E-01 7.09781812E-02-2.07686446E-05 3 -2.04871547E-08 1.23786173E-11 2.17812655E+04 2.77860918E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + other(R) + group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cds- ! CdsCsCs) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cds-CdsHH) + other(R) + ! ring(Cyclopropane) + radical(Neopentyl) C8H13(520) C 8 H 13 G100.000 5000.000 985.83 1 1.87063153E+01 3.57793344E-02-1.32857005E-05 2.48668752E-09-1.80397978E-13 2 1.96009968E+04-7.16862688E+01 2.51022059E-01 6.20242587E-02 2.07858114E-05 3 -7.05998656E-08 3.10451560E-11 2.56031853E+04 2.90734970E+01 4 ! Thermo group additivity estimation: group(Cds-Cds(Cds-Cds)Cs) + gauche(CsOsCdSs) + other(R) + group(Cds-Cds(Cds-Cds)Cs) + gauche(CsOsCdSs) + other(R) ! + group(Cds-Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Cds-Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Cs-(Cds-Cds)HHH) + ! gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Cds-CdsHH) ! + gauche(CsOsCdSs) + other(R) C8H12(521) C 8 H 12 G100.000 5000.000 992.60 1 1.89662254E+01 3.26467546E-02-1.17939857E-05 2.10783990E-09-1.46868513E-13 2 3.40533193E+03-7.33815785E+01-3.23126379E-01 8.16870797E-02-4.25437435E-05 3 -6.36096260E-09 9.32073014E-12 8.64812126E+03 2.66551311E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs ! -(Cds-Cds)(Cds-Cds)HH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsH) + gauche(CsOsCdSs) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + ! other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Ss-SsCs) + ! gauche(Ss(RR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(SJ-Ss-Cs) S(525) C 8 H 13 S 2 G100.000 5000.000 861.31 1 1.43165821E+01 5.39459368E-02-2.40710738E-05 4.53896397E-09-3.15070613E-13 2 1.01631538E+04-3.39520982E+01-1.48166984E+00 1.27314610E-01-1.51845388E-04 3 1.03438428E-07-2.90212625E-11 1.28845852E+04 3.99066027E+01 4 ! Thermo group additivity estimation: group(Cs-CdsCsSsH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)CsHH) + gauche(Cs(CsRRR)) + other(R) + group ! (Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(Cs(CsRR)Cs)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + ! other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + ! other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(SJ-Ss-Cs) S(530) C 8 H 13 S 2 G100.000 5000.000 1089.46 1 2.10915129E+01 4.20596001E-02-1.70992138E-05 3.12009646E-09-2.14201856E-13 2 7.98780036E+03-7.23283163E+01-1.85022292E+00 1.26291250E-01-1.33071872E-04 3 7.40865976E-08-1.64990025E-11 1.29866172E+04 4.03179772E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs ! -(Cds-Cds)(Cds-Cds)HH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsH) + gauche(CsOsCdSs) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + ! other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + ! gauche(CsOsCdSs) + other(R) C8H14(539) C 8 H 14 G100.000 5000.000 1671.19 1 1.60335550E+01 4.39282035E-02-1.77581689E-05 3.16609910E-09-2.10896256E-13 2 -8.26246002E+03-5.50698944E+01 6.00154247E-03 8.22903141E-02-5.21907055E-05 3 1.69018696E-08-2.26569031E-12-2.90545610E+03 3.04844708E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + other(R) + group(Cs-CsCsCsH) + int15(Cs(Cs(CsCsCs)Cs(CsCsR)RR)) + other(R) + group(Cs-CsCsHH) ! + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + ! other(R) + polycyclic(bicyclo-(3.1.0)-hexane) + radical(Tertalkyl) C8H13(649) C 8 H 13 G100.000 5000.000 1011.50 1 1.36116173E+01 4.59441179E-02-1.89927148E-05 3.70473803E-09-2.71611180E-13 2 1.21886943E+04-4.89847299E+01 1.33822009E+00 3.46936862E-02 8.63496355E-05 3 -1.24158350E-07 4.57728668E-11 1.77300671E+04 2.54860608E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group ! (Cds-CdsCsCs) + other(R) + group(Cds-Cds(Cds-Cds)H) + other(R) + group(Cds-Cds(Cds-Cds)H) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cs ! -(Cds-Cds)HHH) + other(R) + ring(1,3-Cyclohexadiene) C8H12(735) C 8 H 12 G100.000 5000.000 1003.41 1 1.45557024E+01 3.97208574E-02-1.53732450E-05 2.87424563E-09-2.05531076E-13 2 -3.48533017E+03-5.45577762E+01 7.87441633E-01 5.31367455E-02 2.65653818E-05 3 -6.61790648E-08 2.72615237E-11 1.36536097E+03 2.23158049E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! ring(Cyclohexene) + radical(Cs_S) C8H13(739) C 8 H 13 G100.000 5000.000 1011.28 1 1.32471572E+01 4.48855641E-02-1.79111989E-05 3.39835618E-09-2.44513115E-13 2 7.40540862E+03-4.46923935E+01 1.04621627E+00 4.53182982E-02 5.23865530E-05 3 -8.97095092E-08 3.43337406E-11 1.23187143E+04 2.63985022E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! ring(Cyclohexene) + radical(cyclohexene-allyl) C8H13(740) C 8 H 13 G100.000 5000.000 986.24 1 1.51354535E+01 4.18828355E-02-1.59055304E-05 3.00938389E-09-2.19268591E-13 2 1.01142152E+01-5.92570897E+01 1.06430313E+00 4.12142402E-02 7.29281060E-05 3 -1.16401086E-07 4.50974666E-11 5.59362094E+03 2.26690570E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! ring(Cyclohexene) + radical(Isobutyl) C8H13(741) C 8 H 13 G100.000 5000.000 975.39 1 1.47988047E+01 4.11335917E-02-1.48742548E-05 2.72101631E-09-1.94466329E-13 2 8.49819839E+03-5.27853238E+01 8.80979106E-01 4.81739165E-02 5.12457993E-05 3 -9.50634226E-08 3.83482173E-11 1.35934215E+04 2.62144046E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! ring(Cyclohexene) + radical(cyclohexene-allyl) C8H13(742) C 8 H 13 G100.000 5000.000 986.24 1 1.51354535E+01 4.18828355E-02-1.59055304E-05 3.00938389E-09-2.19268591E-13 2 1.01142152E+01-5.92570897E+01 1.06430313E+00 4.12142402E-02 7.29281060E-05 3 -1.16401086E-07 4.50974666E-11 5.59362094E+03 2.26690570E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! ring(Cyclohexene) + radical(Allyl_P) C8H13(744) C 8 H 13 G100.000 5000.000 975.47 1 1.72092299E+01 3.86096356E-02-1.40740712E-05 2.65075422E-09-1.94773286E-13 2 1.02952225E+03-6.94111035E+01 8.70578101E-01 4.38931220E-02 7.27009700E-05 3 -1.21511209E-07 4.82482889E-11 7.15330146E+03 2.40578594E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group ! (Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) ! + ring(Cyclopentene) + radical(Neopentyl) C8H13(807) C 8 H 13 G100.000 5000.000 999.18 1 1.67444517E+01 3.95352548E-02-1.54103996E-05 2.93154445E-09-2.13005220E-13 2 9.26122824E+03-6.35850256E+01 5.92247761E-01 5.40427829E-02 3.81040351E-05 3 -8.30111957E-08 3.38599760E-11 1.49926120E+04 2.68550354E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + other(R) + group(Cs-CsCsCsH) + int15(Cs(Cs(CsCsCs)Cs(CsCsR)RR)) + other(R) + group(Cs-CsCsHH) ! + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + ! other(R) + polycyclic(bicyclo-(3.1.0)-hexane) + radical(bicyclo[3.1.0]hexane-C5-2) C8H13(817) C 8 H 13 G100.000 5000.000 991.12 1 1.59954749E+01 4.18911262E-02-1.66851931E-05 3.29050014E-09-2.46439747E-13 2 9.89378870E+03-6.25322630E+01 1.42025166E+00 2.78494201E-02 1.14842319E-04 3 -1.59356010E-07 5.94895403E-11 1.63617927E+04 2.57092712E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsHH) + int15(Cs(Cs(CsCsCs)Cs(CsCsR)RR)) + other(R) + group(Cs-CsCsHH) + ! int15(Cs(Cs(CsCsCs)Cs(CsCsR)RR)) + other(R) + group(Cs-CsCsCsCs) + other(R) + group(Cs-CsCsCsCs) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs- ! CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + polycyclic(bicyclo[2.1.1]hexane) + radical(cyclobutane) C8H13(853) C 8 H 13 G100.000 5000.000 976.08 1 2.04461509E+01 3.50144447E-02-1.31820762E-05 2.67958009E-09-2.09648996E-13 2 1.25935705E+04-8.95964241E+01 1.36686908E+00 2.17911153E-02 1.47614241E-04 3 -2.03089457E-07 7.70670205E-11 2.06726781E+04 2.42942762E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CdsCsSsH) + ! other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss-SsCs) + other(R) + group(Cds- ! CdsHH) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexanone) + radical(SJ-Ss-Cs) S(978) C 8 H 13 S 2 G100.000 5000.000 993.69 1 2.71564751E+01 3.41593480E-02-1.31821551E-05 2.57332465E-09-1.92538662E-13 2 -3.50803309E+03-1.17603491E+02-1.16821162E+00 8.75744892E-02-2.33203300E-06 3 -6.60808957E-08 3.25211205E-11 5.11319892E+03 3.39226358E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + ! polycyclic(PolycyclicRing) + radical(Tertalkyl) S(1217) C 8 H 13 G100.000 5000.000 1782.68 1 1.87557200E+01 4.08578159E-02-1.66232197E-05 2.95320311E-09-1.95346140E-13 2 -5.54582836E+03-1.06335802E+02-1.45074925E-01 8.32675946E-02-5.23080151E-05 3 1.62981822E-08-2.06682037E-12 1.19299574E+03-4.22347623E+00 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + int15(Cs(Cs(CsCsCs)Cs(CsCsR)RR)) ! + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + ! other(R) + polycyclic(norbornane) + radical(Cs_S) S(1218) C 8 H 13 G100.000 5000.000 1002.66 1 1.76465922E+01 4.04792227E-02-1.62426726E-05 3.15515853E-09-2.32257966E-13 2 4.90752960E+03-7.35942812E+01 6.09321927E-01 5.08616659E-02 5.43752313E-05 3 -1.01080111E-07 4.00399341E-11 1.12186561E+04 2.30806594E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs- ! CsCsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cs-CsHHH) + other(R) + ! ring(Cyclopentene) + radical(RCCJ) S(1311) C 8 H 13 G100.000 5000.000 999.87 1 1.49489795E+01 4.14475381E-02-1.60031966E-05 3.00068352E-09-2.15383012E-13 2 1.08309284E+04-5.15618176E+01 7.44057937E-01 5.24885937E-02 3.61204760E-05 3 -7.75501446E-08 3.13756384E-11 1.59602673E+04 2.84119330E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsCsH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + ! polycyclic(norbornane) + radical(Tertalkyl) S(1368) C 8 H 13 G100.000 5000.000 1041.40 1 1.31963845E+01 4.64385043E-02-1.88269872E-05 3.53632898E-09-2.50498720E-13 2 5.10183293E+03-4.74374176E+01 6.46721639E-01 5.76486769E-02 1.83096328E-05 3 -5.43473194E-08 2.18336644E-11 9.72164013E+03 2.32476327E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! ring(Cyclohexene) + radical(Isobutyl) S(1476) C 8 H 13 G100.000 5000.000 975.39 1 1.47988225E+01 4.11335612E-02-1.48742371E-05 2.72101213E-09-1.94465982E-13 2 8.49819098E+03-5.27854237E+01 8.80974297E-01 4.81739748E-02 5.12455890E-05 3 -9.50631417E-08 3.83480943E-11 1.35934217E+04 2.62144217E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) ! + other(R) + group(Cs-CsCsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cds-CdsHH) + other(R) + ! ring(Cyclopentane) + radical(cyclopentane) S(1487) C 8 H 13 G100.000 5000.000 994.07 1 1.15340775E+01 4.52524805E-02-1.71577216E-05 3.16334923E-09-2.24279306E-13 2 1.12198423E+04-3.09708847E+01 1.23993470E+00 4.27203052E-02 5.29886578E-05 3 -8.83610030E-08 3.39800210E-11 1.54381743E+04 2.95545626E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsCsH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + ! polycyclic(norbornane) S(1507) C 8 H 14 G100.000 5000.000 980.49 1 1.78981797E+01 4.11135142E-02-1.52356987E-05 2.87455729E-09-2.10427368E-13 2 -1.89312516E+04-7.66804122E+01 5.83694510E-01 5.00198517E-02 6.55766641E-05 3 -1.16284045E-07 4.65444433E-11-1.25687108E+04 2.16421138E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! ring(Cyclohexene) + radical(cyclohexene-allyl) S(1549) C 8 H 13 G100.000 5000.000 986.24 1 1.51355813E+01 4.18826174E-02-1.59054044E-05 3.00935408E-09-2.19266115E-13 2 1.00606599E+01-5.92578092E+01 1.06427007E+00 4.12146386E-02 7.29266783E-05 3 -1.16399195E-07 4.50966467E-11 5.59362236E+03 2.26691750E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + ! ring(Cyclohexene) + radical(Allyl_T) S(1551) C 8 H 13 G100.000 5000.000 969.69 1 1.52439533E+01 4.04146250E-02-1.44352407E-05 2.69233716E-09-1.97192342E-13 2 -5.69077469E+01-5.99985349E+01 1.30391443E+00 3.36263879E-02 9.55168538E-05 3 -1.41273733E-07 5.45470094E-11 5.66924340E+03 2.24106866E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + ! polycyclic(bicyclo-(3.1.0)-hexane) + radical(Tertalkyl) S(1769) C 8 H 13 G100.000 5000.000 1006.84 1 1.19482664E+01 4.72088078E-02-1.90383466E-05 3.65278627E-09-2.65147307E-13 2 1.23855920E+04-3.86573115E+01 1.50022966E+00 3.26541828E-02 8.61675125E-05 3 -1.21310696E-07 4.44951195E-11 1.73311387E+04 2.59312924E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CdsCsSsH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! group(Ss-SsCs) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexene) + radical(SJ-Ss-Cs) S(1779) C 8 H 13 S 2 G100.000 5000.000 978.91 1 2.40551354E+01 3.62716928E-02-1.28859650E-05 2.34290483E-09-1.67445589E-13 2 -3.64977511E+03-9.79273963E+01-1.13670045E+00 9.27765722E-02-2.83187396E-05 3 -3.56024852E-08 2.18981343E-11 3.50711316E+03 3.44352193E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CdsCsSsH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! group(Ss-SsCs) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexene) + radical(SJ-Ss-Cs) S(1837) C 8 H 13 S 2 G100.000 5000.000 978.91 1 2.40551354E+01 3.62716928E-02-1.28859650E-05 2.34290483E-09-1.67445589E-13 2 -3.64977511E+03-9.79273963E+01-1.13670045E+00 9.27765722E-02-2.83187396E-05 3 -3.56024852E-08 2.18981343E-11 3.50711316E+03 3.44352193E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + other(R) + group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs- ! CsCsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss- ! SsCs) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexene) + radical(SJ-Ss-Cs) S(1840) C 8 H 13 S 2 G100.000 5000.000 1016.44 1 2.08172765E+01 4.29457711E-02-1.72343632E-05 3.29167025E-09-2.38200690E-13 2 -2.54959093E+03-8.12048429E+01-5.18965744E-01 7.77757061E-02 3.87544193E-06 3 -5.81117058E-08 2.65614680E-11 4.32599319E+03 3.45637351E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + ! ring(Cyclohexene) + radical(Isobutyl) S(1965) C 8 H 13 G100.000 5000.000 961.05 1 1.62050118E+01 3.81601851E-02-1.29841601E-05 2.36398820E-09-1.71762674E-13 2 8.75886369E+03-6.09108975E+01 1.04698449E+00 4.06820495E-02 7.76139229E-05 3 -1.26060145E-07 5.02944427E-11 1.44694286E+04 2.61676715E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + ! ring(Cyclohexene) + radical(cyclohexene-allyl) S(1968) C 8 H 13 G100.000 5000.000 971.70 1 1.65163553E+01 3.89502792E-02-1.40381035E-05 2.65755773E-09-1.96986939E-13 2 2.82110985E+02-6.72388790E+01 1.22873275E+00 3.37478250E-02 9.91708872E-05 3 -1.47174476E-07 5.69178057E-11 6.46969212E+03 2.26275602E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsCs) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group ! (Ss-SsCs) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexene) + radical(SJ-Ss-Cs) S(1983) C 8 H 13 S 2 G100.000 5000.000 1020.32 1 2.06342515E+01 4.33677122E-02-1.75105271E-05 3.34681601E-09-2.41932369E-13 2 -2.63085689E+03-8.02544839E+01-5.18786136E-01 7.80487260E-02 2.43154104E-06 3 -5.60262963E-08 2.56607511E-11 4.19706112E+03 3.45288440E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + ! polycyclic(bicyclo-(3.1.0)-hexane) + radical(Tertalkyl) S(2061) C 8 H 13 G100.000 5000.000 1006.84 1 1.19482664E+01 4.72088078E-02-1.90383466E-05 3.65278627E-09-2.65147307E-13 2 1.23855920E+04-3.86573115E+01 1.50022966E+00 3.26541828E-02 8.61675125E-05 3 -1.21310696E-07 4.44951195E-11 1.73311387E+04 2.59312924E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cds- ! CdsCsCs) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + ! other(R) + ring(Cyclohexene) + radical(Allyl_T) S(2082) C 8 H 13 G100.000 5000.000 982.33 1 1.40694473E+01 4.28868583E-02-1.60049200E-05 2.98401304E-09-2.15333029E-13 2 -2.57911847E+02-5.30995425E+01 1.13706409E+00 4.08441179E-02 7.06442053E-05 3 -1.12509273E-07 4.36042683E-11 4.92220246E+03 2.24952370E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cds- ! CdsCsCs) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + ! other(R) + ring(Cyclohexene) + radical(Isobutyl) S(2083) C 8 H 13 G100.000 5000.000 972.75 1 1.50098200E+01 4.06661489E-02-1.45727013E-05 2.66001838E-09-1.90258241E-13 2 8.56701405E+03-5.38945744E+01 8.79909179E-01 4.79069550E-02 5.26919292E-05 3 -9.71904977E-08 3.92858413E-11 1.37223950E+04 2.62527583E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CdsCsSsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cds-CdsCsCs) + ! other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss-SsCs) + other(R) + group(Cs-(Cds- ! Cds)HHH) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexene) + radical(SJ-Ss-Cs) S(2086) C 8 H 13 S 2 G100.000 5000.000 978.91 1 2.40551354E+01 3.62716928E-02-1.28859650E-05 2.34290483E-09-1.67445589E-13 2 -3.64977511E+03-9.79273963E+01-1.13670045E+00 9.27765722E-02-2.83187396E-05 3 -3.56024852E-08 2.18981343E-11 3.50711316E+03 3.44352193E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsHH) + other(R) + group(Cs-CdsCsSsH) + other(R) + group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs- ! CsCsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! group(Ss-SsCs) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexene) + radical(SJ-Ss-Cs) S(2089) C 8 H 13 S 2 G100.000 5000.000 975.83 1 2.42600161E+01 3.58146246E-02-1.25903712E-05 2.28331070E-09-1.63353689E-13 2 -3.57836234E+03-9.90020743E+01-1.13652502E+00 9.24948492E-02-2.68210076E-05 3 -3.77956871E-08 2.28633083E-11 3.63603323E+03 3.44691148E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cds- ! CdsCsCs) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + ! other(R) + ring(Cyclohexene) S(2099) C 8 H 14 G100.000 5000.000 987.64 1 1.53200557E+01 4.38731767E-02-1.66043860E-05 3.11956266E-09-2.25818141E-13 2 -1.65376018E+04-5.89135422E+01 8.56275805E-01 4.62746564E-02 6.50688426E-05 3 -1.09602482E-07 4.28854075E-11-1.09407050E+04 2.45568247E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsCsH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + ! polycyclic(bicyclo-(4.1.0)-heptane) + radical(Tertalkyl) S(2163) C 8 H 13 G100.000 5000.000 1021.52 1 1.03762287E+01 5.06634073E-02-2.10817094E-05 4.07313109E-09-2.95141376E-13 2 1.19239278E+04-3.10659730E+01 1.68500714E+00 2.91324116E-02 9.21234147E-05 3 -1.23053565E-07 4.38481266E-11 1.65986291E+04 2.52390437E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds-Cds)CsHH) ! + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! ring(Cycloheptene) + radical(RCCJCC) S(2260) C 8 H 13 G100.000 5000.000 910.78 1 3.38975789E+01 7.66022533E-04 9.84806378E-06-2.15210349E-09 1.35493794E-13 2 4.50145085E+03-1.55998869E+02 1.23531357E+00 8.64712152E-03 2.20139778E-04 3 -3.19510050E-07 1.32107340E-10 1.60737847E+04 2.93929203E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsCs) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + ! polycyclic(PolycyclicRing) + radical(cyclobutane) S(2306) C 8 H 13 G100.000 5000.000 1103.40 1 1.77723086E+01 4.30358155E-02-1.81912971E-05 3.45194028E-09-2.44167966E-13 2 -4.61964211E+03-1.01153258E+02-3.12215377E-01 7.96510776E-02-2.86200442E-05 3 -1.40203448E-08 9.10091102E-12 1.13321267E+03-4.14221162E+00 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cds-CdsCsCs) + ! other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group ! (Ss-SsCs) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexene) + radical(SJ-Ss-Cs) S(2392) C 8 H 13 S 2 G100.000 5000.000 1060.12 1 1.98261278E+01 4.52431522E-02-1.87466591E-05 3.56151117E-09-2.53799766E-13 2 -2.99455792E+03-7.54348451E+01-7.09807971E-01 8.55075907E-02-2.30531023E-05 3 -2.68492761E-08 1.47279268E-11 3.45109690E+03 3.47027584E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + ! polycyclic(bicyclo-(4.1.0)-heptane) + radical(cycloheptane) S(2490) C 8 H 13 G100.000 5000.000 997.50 1 1.27188185E+01 4.66770614E-02-1.88111936E-05 3.66739135E-09-2.70659787E-13 2 9.09398791E+03-4.43789595E+01 1.76732974E+00 2.22916810E-02 1.20567495E-04 3 -1.58129178E-07 5.74840916E-11 1.46767962E+04 2.54607830E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsHH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-CsCsHH) ! + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsH) + other(R) + ! ring(Cycloheptene) + radical(RCCJCC) S(2592) C 8 H 13 G100.000 5000.000 910.73 1 3.51897857E+01-1.90322413E-03 1.15300838E-05-2.47009804E-09 1.55803899E-13 2 4.65201550E+03-1.63562291E+02 1.39039373E+00 1.55672075E-03 2.44635529E-04 3 -3.47915415E-07 1.42968565E-10 1.68213345E+04 2.93512097E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsHHH) + other(R) + ! polycyclic(PolycyclicRing) + radical(cyclobutane) S(2637) C 8 H 13 G100.000 5000.000 1107.68 1 1.61205724E+01 4.42795950E-02-1.82244101E-05 3.39695424E-09-2.37447722E-13 2 -3.67242496E+03-9.08905490E+01-1.58024364E-01 7.77073048E-02-2.91538655E-05 3 -1.06915628E-08 7.60666394E-12 1.48944754E+03-3.66916588E+00 4 ! Thermo group additivity estimation: group(Cs-CsCsCsSs) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsCsSs) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Ss-CsCs) + ! int15(Ss(Cs(CsCsCs)Cs(CsCsCs))) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + ! other(R) + group(Cs-CsHHH) + other(R) + ring(Cyclohexane) + radical(Cs_S) S(2919) C 12 H 23 S 1 G100.000 5000.000 1116.09 1 2.70763129E+01 7.71790412E-02-3.27119327E-05 6.19302906E-09-4.36644073E-13 2 -1.95344538E+04-1.17746487E+02-3.44544770E+00 1.37891254E-01-4.88884747E-05 3 -2.32207808E-08 1.49049047E-11-9.68976649E+03 4.64373115E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsSsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsCsSs) + other(R) + group(Cs-CsCsHH) + other(R) + group(Ss-CsCs) + int15(Ss(Cs(CsCsCs)Cs(CsCsR))) ! + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + ! other(R) + ring(Cyclohexane) + radical(Tertalkyl) S(2920) C 12 H 23 S 1 G100.000 5000.000 1380.27 1 2.87789262E+01 7.55003619E-02-3.18917839E-05 5.85434222E-09-3.98270859E-13 2 -2.24751241E+04-1.27819815E+02-3.59794608E+00 1.45647655E-01-8.23893265E-05 3 1.78147196E-08-3.13237097E-13-1.12816434E+04 4.69855708E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsSs) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss-CsH) + ! other(R) + ring(Cyclohexane) + radical(Cs_S) S(2927) C 8 H 15 S 1 G100.000 5000.000 1108.29 1 1.63841659E+01 5.56513374E-02-2.42585995E-05 4.65792383E-09-3.30975883E-13 2 -4.84856847E+03-6.16410107E+01-2.92288864E-01 7.62965155E-02 1.31830865E-06 3 -4.29203739E-08 1.76632840E-11 1.27643673E+03 3.14841239E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsSsH) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss-CsH) + ! other(R) + ring(Cyclohexane) + radical(Tertalkyl) S(2928) C 8 H 15 S 1 G100.000 5000.000 1217.66 1 1.45155615E+01 5.81829316E-02-2.54784327E-05 4.81362062E-09-3.35315530E-13 2 -4.64407313E+03-5.06851774E+01-1.54786755E-01 7.74990937E-02-1.37021255E-05 3 -2.11091777E-08 8.98546026E-12 1.06931978E+03 3.17700257E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsSsH) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss-SsCs) + ! other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexane) + radical(Tertalkyl) S(3191) C 8 H 15 S 2 G100.000 5000.000 1337.75 1 2.03698347E+01 5.44487719E-02-2.37569303E-05 4.43710716E-09-3.05204798E-13 2 -4.93693071E+03-7.89955558E+01-1.11064341E+00 9.77290476E-02-4.87972266E-05 3 5.21000714E-09 1.73797779E-12 2.68459877E+03 3.78918329E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cs ! -(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Ss- ! SsH) + gauche(Ss(RR)) + other(R) + radical(CsJ-CdSsH) S(3383) C 4 H 7 S 2 G100.000 5000.000 1145.36 1 1.40223651E+01 2.19255530E-02-9.18174902E-06 1.70267872E-09-1.18046337E-13 2 1.44372112E+04-3.99044766E+01 8.07814409E-01 6.80757385E-02-6.96219317E-05 3 3.68826570E-08-7.79690427E-12 1.74642733E+04 2.56414641E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cs ! -(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Ss- ! SsH) + gauche(Ss(RR)) + other(R) + radical(Allyl_P) S(3384) C 4 H 7 S 2 G100.000 5000.000 855.74 1 1.31789097E+01 2.40180592E-02-1.04987773E-05 1.93530632E-09-1.31748491E-13 2 1.81793676E+04-3.59402865E+01 3.36208863E-01 8.40467992E-02-1.15717580E-04 3 8.39034248E-08-2.40774654E-11 2.03774476E+04 2.40180262E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsSs) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsSsH) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Ss-SsCs) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss-SsCs) + ! other(R) + group(Cs-CsHHH) + other(R) + polycyclic(PolycyclicRing) + radical(Tertalkyl) S(4420) C 8 H 13 S 2 G100.000 5000.000 952.28 1 1.62130206E+01 5.67621764E-02-2.62737176E-05 5.07159527E-09-3.58014190E-13 2 1.81731397E+03-8.09295402E+01-1.68568795E+00 1.31947830E-01-1.44708572E-04 3 8.79882096E-08-2.21268327E-11 5.22608947E+03 4.54546398E+00 4 ! Thermo group additivity estimation: group(Cs-CsCsHH) + other(R) + group(Cs-CsCsCsSs) + other(R) + group(Cs-CsCsCsSs) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss-SsCs) + ! other(R) + group(Ss-SsCs) + other(R) + polycyclic(PolycyclicRing) + radical(Cs_S) S(4421) C 8 H 13 S 2 G100.000 5000.000 1104.39 1 2.07973146E+01 4.97693785E-02-2.25406483E-05 4.33188820E-09-3.05809808E-13 2 4.16088805E+02-1.07274062E+02-1.93921862E+00 1.32119371E-01-1.34390174E-04 3 7.18502988E-08-1.55899687E-11 5.43806809E+03 4.67405605E+00 4 ! Thermo group additivity estimation: group(Cs-CsCsCsSs) + other(R) + group(Cs-CsCsSsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsCsH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss-SsCs) + other(R) + group(Cs-CsHHH) + ! other(R) + group(Ss-SsCs) + other(R) + polycyclic(PolycyclicRing) + radical(Cs_S) S(4688) C 8 H 13 S 2 G100.000 5000.000 1185.00 1 2.13317490E+01 4.80666970E-02-2.14108712E-05 4.08629383E-09-2.87301515E-13 2 8.52107007E+02-1.09857525E+02-1.79794740E+00 1.26141948E-01-1.20240717E-04 3 5.96870026E-08-1.20174580E-11 6.33382210E+03 5.65589196E+00 4 ! Thermo group additivity estimation: group(Cs-CdsCsSsH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)CsHH) + gauche(Cs(CsRRR)) + other(R) + group ! (Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(Cs(CsRR)Cs)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + ! other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + ! other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(Allyl_P) S(4766) C 8 H 13 S 2 G100.000 5000.000 1104.04 1 2.44347700E+01 3.84494848E-02-1.53902838E-05 2.79082369E-09-1.91254101E-13 2 1.55513428E+04-9.09193723E+01-2.37107853E+00 1.35569283E-01-1.47342672E-04 3 8.24698863E-08-1.82339923E-11 2.14702473E+04 4.10563052E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsSsH) + other(R) + group(Cs-CsCsSsH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Ss-SsCs) + other(R) + group(Ss-SsCs) + other(R) + group(Cs-CsHHH) + ! other(R) + group(Cs-CsHHH) + other(R) + polycyclic(PolycyclicRing) + radical(Tertalkyl) S(4842) C 8 H 13 S 2 G100.000 5000.000 1027.94 1 1.62164015E+01 5.59211733E-02-2.56233209E-05 4.93614886E-09-3.48446225E-13 2 2.49024018E+03-8.04948390E+01-1.42248434E+00 1.24558509E-01-1.25780239E-04 3 6.98921031E-08-1.61459421E-11 6.11660813E+03 5.08878016E+00 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs ! -(Cds-Cds)(Cds-Cds)HH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsH) + gauche(CsOsCdSs) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + ! other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Ss-SsCs) + ! gauche(Ss(RR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(Allyl_P) S(4998) C 8 H 13 S 2 G100.000 5000.000 913.48 1 1.74027354E+01 5.07606461E-02-2.26015378E-05 4.26521245E-09-2.96660973E-13 2 1.78389465E+04-5.10860577E+01-1.88815492E+00 1.35233405E-01-1.61313000E-04 3 1.05499004E-07-2.80024119E-11 2.13632870E+04 4.02354776E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsSs) + other(R) + group(Cs-CsCsSsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss-SsCs) + other(R) + group(Ss-SsCs) + ! other(R) + group(Cs-CsHHH) + other(R) + polycyclic(PolycyclicRing) + radical(Cs_S) S(5073) C 8 H 13 S 2 G100.000 5000.000 1184.99 1 2.13317419E+01 4.80667096E-02-2.14108787E-05 4.08629567E-09-2.87301670E-13 2 8.52109779E+02-1.09857485E+02-1.79794857E+00 1.26141960E-01-1.20240747E-04 3 5.96870299E-08-1.20174663E-11 6.33382216E+03 5.65589638E+00 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsSsH) + other(R) + group(Cs-CsCsSsH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss-SsCs) + other(R) + group(Ss-SsCs) + ! other(R) + group(Cs-CsHHH) + other(R) + polycyclic(PolycyclicRing) + radical(Tertalkyl) S(5074) C 8 H 13 S 2 G100.000 5000.000 1027.94 1 1.62164015E+01 5.59211733E-02-2.56233209E-05 4.93614886E-09-3.48446225E-13 2 2.49024018E+03-8.04948390E+01-1.42248434E+00 1.24558509E-01-1.25780239E-04 3 6.98921031E-08-1.61459421E-11 6.11660813E+03 5.08878016E+00 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CdsCsSsH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! group(Ss-SsCs) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexene) + radical(Allyl_P) S(5085) C 8 H 13 S 2 G100.000 5000.000 972.74 1 2.70754862E+01 3.32086020E-02-1.14916212E-05 2.08778757E-09-1.50638587E-13 2 4.05023180E+03-1.14698938E+02-1.57693152E+00 1.01088649E-01-3.91534581E-05 3 -3.17341575E-08 2.21065957E-11 1.19872851E+04 3.48855037E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsSsH) + other(R) + group(Cs-CsCsSsH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsCsCsH) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss-SsCs) + ! other(R) + group(Ss-SsCs) + other(R) + polycyclic(PolycyclicRing) + radical(Tertalkyl) S(5345) C 8 H 13 S 2 G100.000 5000.000 1027.94 1 1.62164015E+01 5.59211733E-02-2.56233209E-05 4.93614886E-09-3.48446225E-13 2 2.49024018E+03-8.04948390E+01-1.42248434E+00 1.24558509E-01-1.25780239E-04 3 6.98921031E-08-1.61459421E-11 6.11660813E+03 5.08878016E+00 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + other(R) + group(Cs-CdsCsSsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cds-CdsCsCs) + ! other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Ss-SsCs) + other(R) + group(Cs-(Cds- ! Cds)HHH) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexene) + radical(Allyl_P) S(5358) C 8 H 13 S 2 G100.000 5000.000 972.74 1 2.70755800E+01 3.32084412E-02-1.14915280E-05 2.08776546E-09-1.50636747E-13 2 4.05019276E+03-1.14699466E+02-1.57695722E+00 1.01088961E-01-3.91545849E-05 3 -3.17326494E-08 2.21059341E-11 1.19872862E+04 3.48855953E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsSs) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds- ! CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CdsSsHH) + other(R) + group(Ss-SsCs) + other(R) + group(Ss- ! SsCs) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ring(Cycloheptane) + radical(Cs_P) S(5416) C 8 H 13 S 2 G100.000 5000.000 903.78 1 4.48389486E+01-4.51683124E-03 1.18048976E-05-2.58635278E-09 1.71901347E-13 2 7.12961208E+03-2.09462584E+02-1.71479859E+00 8.02926035E-02 7.22516756E-05 3 -1.95590488E-07 9.46138654E-11 2.04956927E+04 3.78141075E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds- ! Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Cds-Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + ! other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + ! gauche(Cs(RRRR)) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(SJ-Ss-Cs) + ! radical(C=CC=CCJ) S(5433) C 8 H 12 S 2 G100.000 5000.000 956.94 1 1.72179197E+01 4.61905803E-02-1.93478374E-05 3.54674303E-09-2.42855294E-13 2 1.97881312E+04-5.17214931E+01-1.54098935E+00 1.24603373E-01-1.42260757E-04 3 8.91766806E-08-2.26138342E-11 2.33783278E+04 3.79535583E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-(Cds-Cds)CsHH) + gauche(Cs(CsRRR)) + other(R) + ! group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + ! other(R) + group(Cds-CdsCsCs) + gauche(Cd(Cs(CsRR)Cs)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Cds-CdsHH) + ! gauche(CsOsCdSs) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(SJ-Ss-Cs) S(5528) C 8 H 13 S 2 G100.000 5000.000 904.56 1 1.53473058E+01 5.24152010E-02-2.32168309E-05 4.37479396E-09-3.04072915E-13 2 1.11575401E+04-3.92117901E+01-1.50620782E+00 1.26943486E-01-1.46806755E-04 3 9.54630711E-08-2.54792872E-11 1.42064864E+04 4.04058387E+01 4 ! Thermo group additivity estimation: group(Cs-CdsCsSsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cs-CsHHH) + other(R) + group(Cds-CdsHH) + other(R) + group ! (Ss-SsCs) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexanone) + radical(SJ-Ss-Cs) S(5657) C 8 H 13 S 2 G100.000 5000.000 993.69 1 2.71564944E+01 3.41593153E-02-1.31821362E-05 2.57332019E-09-1.92538292E-13 2 -3.50804119E+03-1.17603600E+02-1.16821645E+00 8.75745472E-02-2.33223974E-06 3 -6.60806235E-08 3.25210032E-11 5.11319913E+03 3.39226531E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsHH) + other(R) + group(Cs-CdsCsSsH) + other(R) + group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs- ! CsCsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! group(Ss-SsCs) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexene) + radical(Allyl_P) S(5660) C 8 H 13 S 2 G100.000 5000.000 970.03 1 2.72840446E+01 3.27454702E-02-1.11926085E-05 2.02739919E-09-1.46481638E-13 2 4.12003785E+03-1.15794437E+02-1.57699756E+00 1.00809256E-01-3.76610329E-05 3 -3.39254204E-08 2.30734946E-11 1.21162158E+04 3.49202956E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsHH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cs-CdsCsSsH) + other(R) + group(Cs- ! CsCsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cs-CsHHH) + other(R) + group(Cds-CdsHH) + other(R) + group ! (Ss-SsCs) + other(R) + group(Ss-SsH) + other(R) + ring(Cyclohexanone) + radical(SJ-Ss-Cs) S(6088) C 8 H 13 S 2 G100.000 5000.000 993.69 1 2.71564944E+01 3.41593153E-02-1.31821362E-05 2.57332019E-09-1.92538292E-13 2 -3.50804119E+03-1.17603600E+02-1.16821645E+00 8.75745472E-02-2.33223974E-06 3 -6.60806235E-08 3.25210032E-11 5.11319913E+03 3.39226531E+01 4 ! Thermo library: SulfurLibrary S(6398) C 4 H 6 S 1 G100.000 5000.000 1011.42 1 1.11433595E+01 1.82088530E-02-7.36972942E-06 1.42498524E-09-1.04186791E-13 2 9.55324155E+03-3.22453518E+01 2.17406639E+00 3.00694414E-02 1.00576636E-05 3 -3.31434743E-08 1.41455504E-11 1.25752770E+04 1.70984310E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs ! -(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsSsH) + gauche(CsOsCdSs) + other(R) + group(Ss-SsCd) + gauche(Ss(RR)) + other(R) + group ! (Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(SJ-Ss-Cs) S(6410) C 4 H 7 S 2 G100.000 5000.000 941.74 1 8.15752333E+00 2.99232333E-02-1.34823929E-05 2.57199121E-09-1.80370905E-13 2 9.92883689E+03-8.10295464E+00 1.50357303E+00 5.81855014E-02-5.84982722E-05 3 3.44390474E-08-8.63996298E-12 1.11820995E+04 2.35991221E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsSs) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs- ! CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Ss- ! SsCs) + gauche(Ss(RR)) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds- ! Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + radical(CsJ-CdSsH) S(6417) C 8 H 15 S 2 G100.000 5000.000 1096.89 1 2.06652132E+01 5.10222536E-02-2.18100936E-05 4.07389853E-09-2.83077989E-13 2 -2.19941725E+03-7.22082805E+01-2.10891556E+00 1.34072694E-01-1.35382644E-04 3 7.31014225E-08-1.60157497E-11 2.79668814E+03 3.97696819E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Ss- ! CsCs) + gauche(Ss(CsCs)) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cs ! -(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + ! group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + radical(CsJ-CdSsH) S(6452) C 8 H 13 S 1 G100.000 5000.000 927.19 1 1.63053193E+01 4.67848755E-02-2.00285634E-05 3.71058408E-09-2.55437856E-13 2 1.48449709E+04-4.97571014E+01-1.41961549E+00 1.23253804E-01-1.43741930E-04 3 9.26646351E-08-2.42407902E-11 1.81317784E+04 3.44151437E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsSs) + gauche(Cs(RRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs- ! CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Cds- ! CdsSsH) + gauche(CsOsCdSs) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + ! group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Ss-SsCd) + gauche(Ss(RR)) + other(R) + radical(Cs_P) S(7161) C 8 H 15 S 2 G100.000 5000.000 893.84 1 1.50909895E+01 6.01607717E-02-2.72431357E-05 5.18846765E-09-3.62866672E-13 2 8.42774765E+03-3.83517514E+01-1.84472626E+00 1.35951271E-01-1.54434391E-04 3 1.00055916E-07-2.68972165E-11 1.14552349E+04 4.14521881E+01 4 ! Thermo library: SulfurLibrary + radical(C=SJ-Cd) S(7670) C 4 H 5 S 1 G100.000 5000.000 1025.55 1 1.08796514E+01 1.59305431E-02-6.61440379E-06 1.30283510E-09-9.60987200E-14 2 2.27386632E+04-2.97390932E+01 2.29571292E+00 2.83687590E-02 5.96978792E-06 3 -2.68841607E-08 1.16520992E-11 2.56058746E+04 1.72849590E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsHH) + gauche(Cs(Cs(CsCsR)CsRR)) + other(R) + group(Cs-(Cds-Cds)CsHH) + gauche(Cs(Cs(CsRR)RRR)) + ! other(R) + group(Cs-CsCsCsH) + gauche(Cs(Cs(CsRR)CsCsR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsHHH) + ! gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(Cs(CsRR)Cs)) + other(R) + ! group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) S(8546) C 8 H 16 G100.000 5000.000 1216.25 1 1.58073130E+01 4.93442693E-02-1.96924061E-05 3.55743906E-09-2.41980096E-13 2 -2.09753644E+04-5.41608247E+01-4.91652641E-01 8.62763897E-02-4.46792334E-05 3 5.98303343E-09 1.57610312E-12-1.57775422E+04 3.27324291E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + gauche(Cs(CsCsCsR)) + other(R) + group(Cs-CsCsCsH) + gauche(Cs(Cs(CsRR)CsCsR)) + other(R) + ! group(Cs-CsCsHH) + gauche(Cs(Cs(CsCsR)Cs(CsRR)RR)) + other(R) + group(Cs-CsCsHH) + gauche(Cs(Cs(CsCsR)Cs(CsRR)RR)) + other(R) + group(Cs-CsSsHH) + ! gauche(Cs(RRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group ! (Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Ss-CsH) + gauche(Ss(Cs(CsHH)H)) + other(R) + radical(Tertalkyl) S(8698) C 8 H 17 S 1 G100.000 5000.000 857.50 1 7.35528084E+00 7.16232922E-02-3.22217284E-05 6.13893515E-09-4.30063739E-13 2 -5.02086381E+03 1.71814965E+00-5.90222204E-01 1.08687056E-01-9.70566391E-05 3 5.65453480E-08-1.51258875E-11-3.65821714E+03 3.88290727E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + gauche(Cs(CsCsCsR)) + other(R) + group(Cs-(Cds-Cds)CsHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) ! + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsH) + gauche(CsOsCdSs) + other(R) + group(Cs-CsSsHH) + gauche(Cs(RRRR)) + other(R) ! + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + ! gauche(Cs(RRRR)) + other(R) + group(Ss-CsH) + gauche(Ss(Cs(CsHH)H)) + other(R) + radical(Tertalkyl) S(8828) C 8 H 15 S 1 G100.000 5000.000 769.48 1 6.28117334E+00 6.80043210E-02-3.11390020E-05 5.91299757E-09-4.10491776E-13 2 8.05014730E+03 8.40781035E+00-7.31503986E-01 1.12619561E-01-1.34019391E-04 3 1.08830158E-07-3.83257157E-11 8.88775732E+03 3.88323546E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsH) + int15(Cs(Cs(CsCsCs)Cs(CsCsR)RR)) + other(R) + group(Cs-CsCsCsCs) + other(R) + group(Cs-CsCsHH) ! + other(R) + group(Cs-CsCsCsH) + other(R) + group(Cs-CsSsHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + ! other(R) + group(Ss-CsH) + other(R) + ring(Cyclopropane) + radical(Tertalkyl) S(9017) C 8 H 15 S 1 G100.000 5000.000 1796.76 1 2.23607098E+01 4.23225981E-02-1.69116794E-05 2.97484500E-09-1.95415402E-13 2 5.69862688E+03-8.87075265E+01-8.42524713E-01 9.39781188E-02-6.00354003E-05 3 1.89753316E-08-2.42170380E-12 1.40367883E+04 3.68315067E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds- ! Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Cds-Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + ! other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + ! gauche(Cs(RRRR)) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(SJ-Ss-Cs) S(9203) C 8 H 13 S 2 G100.000 5000.000 874.40 1 1.61466141E+01 5.08603820E-02-2.22257505E-05 4.14310381E-09-2.85514167E-13 2 6.05180066E+03-4.61145400E+01-1.76792990E+00 1.32811496E-01-1.62809536E-04 3 1.11327876E-07-3.09306965E-11 9.18470144E+03 3.79083673E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds- ! CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsH) + gauche(CsOsCdSs) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + ! group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + ! other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(SJ-Ss-Cs) S(9208) C 8 H 13 S 2 G100.000 5000.000 1010.84 1 1.36935394E+01 5.45664981E-02-2.54495205E-05 4.94965208E-09-3.51251596E-13 2 9.97654455E+03-4.29443869E+01-7.89725678E-01 1.11879126E-01-1.10497780E-04 3 6.10412773E-08-1.42239800E-11 1.29045550E+04 2.70849394E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsH) + gauche(CsOsCdSs) + other(R) + group(Cs- ! CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cds-Cds(Cds-Cds)Cs) + gauche(CsOsCdSs) + other(R) + ! group(Cds-Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + ! other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(SJ-Ss-Cs) S(9210) C 8 H 13 S 2 G100.000 5000.000 1294.52 1 2.18050034E+01 4.18982642E-02-1.74369611E-05 3.22177310E-09-2.22314263E-13 2 4.40681927E+03-7.95872778E+01-1.51424675E+00 1.13952327E-01-1.00926801E-04 3 4.62175960E-08-8.52560361E-12 1.04443684E+04 3.89346491E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds- ! CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Ss-CsCs) + gauche(Ss(CsCs)) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cds- ! Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Cds-Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + ! other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + ! gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + radical(CsJ- ! CdSsH) S(9515) C 12 H 19 S 1 G100.000 5000.000 960.65 1 2.25185535E+01 7.01585038E-02-3.01172729E-05 5.60383900E-09-3.87351386E-13 2 1.03302400E+04-7.79543086E+01-3.96975727E+00 1.80453142E-01-2.02338155E-04 3 1.25122219E-07-3.14912520E-11 1.54193766E+04 4.87727766E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + gauche(Cs(RRRR)) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cds- ! CdsCsH) + gauche(CsOsCdSs) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cs ! -(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Ss-CsCs) + gauche(Ss(CsCs)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + ! group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + ! other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + radical(CsJ-CdSsH) S(9534) C 12 H 19 S 1 G100.000 5000.000 1080.84 1 2.06765601E+01 7.28012579E-02-3.27174500E-05 6.26125531E-09-4.40603844E-13 2 1.40064312E+04-7.82072672E+01-3.08513579E+00 1.60737866E-01-1.54754935E-04 3 8.15333970E-08-1.78509163E-11 1.91430241E+04 3.82767240E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsH) + gauche(CsOsCdSs) + other(R) + group(Cs- ! CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(CsRRR)) + other(R) + group(Ss-CsCs) + gauche(Ss(CsCs)) + other(R) + group(Cs- ! CdsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + ! group(Cds-Cds(Cds-Cds)Cs) + gauche(CsOsCdSs) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + ! gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + radical(CsJ-CdSsH) S(9554) C 12 H 19 S 1 G100.000 5000.000 1263.58 1 2.87696809E+01 6.01907999E-02-2.47499560E-05 4.54614215E-09-3.12861731E-13 2 8.43555987E+03-1.14766217E+02-3.87696970E+00 1.63537390E-01-1.47433112E-04 3 6.92739965E-08-1.31193115E-11 1.66858856E+04 5.03726298E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + ! group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cds- ! CdsHH) + other(R) + ring(Cyclobutene) S(9808) C 8 H 12 G100.000 5000.000 1089.97 1 1.41509474E+01 4.09307137E-02-1.64101938E-05 3.02116850E-09-2.09928008E-13 2 1.23959033E+04-4.83884016E+01 3.05365804E-01 6.92903290E-02-2.45413043E-05 3 -1.09032074E-08 7.31825453E-12 1.67478056E+04 2.57191364E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + other(R) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + other(R) + group(Cds-CdsCsCs) + ! other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cs ! -(Cds-Cds)HHH) + other(R) + ring(1,4-Cyclohexadiene) + radical(C=CCJC=C) S(10047) C 8 H 11 G100.000 5000.000 966.76 1 1.58223168E+01 3.44807093E-02-1.20811337E-05 2.22820921E-09-1.62473693E-13 2 8.85727759E+03-5.94207035E+01 1.15570061E+00 4.05332252E-02 6.32916526E-05 3 -1.08199783E-07 4.35090315E-11 1.42460888E+04 2.40452552E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + other(R) + group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs-CsCsHH) + other(R) + group(Cs-(Cds- ! Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + ! polycyclic(PolycyclicRing) + radical(cyclopentene-allyl) S(10429) C 8 H 11 G100.000 5000.000 1004.70 1 1.98390324E+01 3.36746072E-02-1.34173921E-05 2.58578305E-09-1.89424111E-13 2 -1.45681702E+02-1.16831513E+02 9.50311518E-02 6.58120145E-02 7.97901089E-06 3 -5.76463046E-08 2.62528497E-11 6.16704872E+03-9.81359870E+00 4 ! Thermo group additivity estimation: group(Cb-Cs) + other(R) + group(Cb-Cs) + other(R) + group(Cb-H) + other(R) + group(Cb-H) + other(R) + group(Cb-H) ! + other(R) + group(Cb-H) + other(R) + group(Cs-CbHHH) + other(R) + group(Cs-CbHHH) + other(R) + ring(Ring) S(10431) C 8 H 10 G100.000 5000.000 1032.79 1 1.09952647E+01 3.94471419E-02-1.60141068E-05 3.02159858E-09-2.15018604E-13 2 -4.33350057E+03-3.36830280E+01 1.41688308E+00 4.24899253E-02 2.90259042E-05 3 -5.79774802E-08 2.22785475E-11-5.38782058E+02 2.16289432E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + other(R) + group(Cs-CsCsCsCs) + other(R) + group(Cs-CsCsHH) + other(R) + ! group(Cs-(Cds-Cds)(Cds-Cds)CsH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cs- ! CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) ! + polycyclic(PolycyclicRing) S(11190) C 12 H 18 G100.000 5000.000 1375.99 1 2.31945137E+01 6.56410313E-02-2.83345355E-05 5.29078155E-09-3.65512984E-13 2 -1.64983699E+04-1.29245648E+02-2.60959397E+00 1.40653809E-01-1.10108097E-04 3 4.49101970E-08-7.56388822E-12-9.39715866E+03 3.48014146E+00 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + other(R) + group(Cs-(Cds-Cds)(Cds-Cds)CsCs) + other(R) + group(Cs-(Cds-Cds)(Cds-Cds)CsCs) + ! other(R) + group(Cs-CsCsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds- ! CdsCsH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + group(Cs-CsHHH) + other(R) + ! polycyclic(PolycyclicRing) S(11191) C 12 H 18 G100.000 5000.000 1051.08 1 2.98277849E+01 5.59381975E-02-2.37354638E-05 4.61107081E-09-3.34273202E-13 2 -1.80480941E+04-1.67835533E+02-2.81507399E+00 1.22179849E-01-3.55195048E-05 3 -4.04001812E-08 2.28553896E-11-7.98307938E+03 6.51013779E+00 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-Cds(Cds-Cds)H) + other(R) + group(Cds- ! Cds(Cds-Cds)H) + other(R) + group(Cs-CdsSsHH) + other(R) + group(Cs-CdsSsHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cs-(Cds-Cds)HHH) + ! other(R) + group(Ss-SsCs) + other(R) + group(Ss-SsCs) + other(R) + ring(Cyclooctane) S(11384) C 8 H 12 S 2 G100.000 5000.000 1254.27 1 2.07246443E+01 4.10487691E-02-1.61187775E-05 2.88771331E-09-1.95944267E-13 2 4.88642470E+03-8.37727569E+01-1.44007352E+00 1.11734580E-01-1.00653192E-04 3 4.78193600E-08-9.15170310E-12 1.04465190E+04 2.81806384E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CdsSsHH) + other(R) + group(Cds-CdsCsCs) + ! other(R) + group(Cds-CdsCsCs) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Ss-SsCs) + other(R) + group ! (Ss-SsCs) + other(R) + group(Cds-CdsHH) + other(R) + ring(Cyclohexane) S(11398) C 8 H 12 S 2 G100.000 5000.000 1463.54 1 2.05511523E+01 4.58816021E-02-2.13401374E-05 4.11130001E-09-2.88084570E-13 2 2.40068387E+03-9.32406368E+01-8.56503411E-01 1.04390285E-01-8.13058221E-05 3 3.14263975E-08-4.95396905E-12 8.66693634E+03 1.81924138E+01 4 ! Thermo group additivity estimation: group(Cs-CsCsCsCs) + other(R) + group(Cs-CsSsHH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cs-CsHHH) + ! other(R) + group(Ss-SsCs) + other(R) + group(Ss-SsCs) + other(R) + group(Cds-Cds(Cds-Cds)H) + other(R) + group(Cds-Cds(Cds-Cds)Cs) + other(R) + ! group(Cs-(Cds-Cds)HHH) + other(R) + group(Cds-CdsHH) + other(R) + ring(1,2-dithietane) S(11414) C 8 H 12 S 2 G100.000 5000.000 1086.75 1 2.30472651E+01 3.76063618E-02-1.51541591E-05 2.82106130E-09-1.98262275E-13 2 1.13705000E+04-9.18419904E+01-1.39029969E+00 1.03138718E-01-7.19066566E-05 3 1.69628493E-08 1.30424666E-12 1.81237283E+04 3.47213488E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds- ! Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Cds-Cds(Cds-Cds)H) + gauche(CsOsCdSs) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + ! other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + ! gauche(Cs(RRRR)) + other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(C=CC=CCJ) S(11955) C 8 H 13 S 2 G100.000 5000.000 924.96 1 1.78425312E+01 4.93714462E-02-2.10857556E-05 3.89321191E-09-2.67307528E-13 2 9.97300367E+03-5.52297127E+01-1.94466156E+00 1.34942643E-01-1.59857899E-04 3 1.03914966E-07-2.73017805E-11 1.36334222E+04 3.86882679E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)HH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsH) + gauche(CsOsCdSs) + other(R) + ! group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) ! + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + ! other(R) + group(Ss-SsCs) + gauche(Ss(RR)) + other(R) + group(Ss-SsH) + gauche(Ss(RR)) + other(R) + radical(SJ-Ss-Cs) S(12040) C 8 H 13 S 2 G100.000 5000.000 861.31 1 1.43165833E+01 5.39459344E-02-2.40710723E-05 4.53896359E-09-3.15070579E-13 2 1.01631534E+04-3.39521047E+01-1.48166923E+00 1.27314603E-01-1.51845367E-04 3 1.03438403E-07-2.90212525E-11 1.28845852E+04 3.99066005E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsH) + other(R) + group(Cs-(Cds-Cds)CsHH) + other(R) + group(Cds-CdsCsCs) + other(R) + group ! (Cs-CsHHH) + other(R) + group(Sd-Cd) + other(R) + ring(Cyclopropane) + radical(Allyl_T) S(12964) C 4 H 5 S 1 G100.000 5000.000 931.19 1 1.12297562E+01 8.13454041E-03-5.72851325E-07 7.16034432E-11-1.29988576E-14 2 2.15715237E+04-4.82760874E+01 3.49748103E+00-8.31529044E-03 1.05925931E-04 3 -1.33448331E-07 5.12100629E-11 2.51648280E+04 3.82374418E-02 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsCsCs) + gauche(Cs(CsCsCsR)) + other(R) + group(Cds-Cds(Cds-Cds)Cs) + gauche(CsOsCdSs) + ! other(R) + group(Cds-CdsCsCs) + gauche(CsOsCdSs) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsHHH) + ! gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + ! group(Sd-Cd) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + radical(Neopentyl) S(12992) C 8 H 13 S 1 G100.000 5000.000 1149.83 1 1.85287493E+01 3.86325084E-02-1.54923432E-05 2.84594595E-09-1.96957310E-13 2 8.99709970E+03-7.88641554E+01-5.64164135E-01 8.75537234E-02-5.64840591E-05 3 1.33770871E-08 3.91097322E-13 1.45445732E+04 2.09438783E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)CsHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsCsCsH) + gauche(Cs(CsCsCsR)) + other(R) ! + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cs-CsHHH) + gauche(Cs(Cs(CsCsR)RRR)) + other(R) + group(Cds-CdsCsCs) + ! gauche(CsOsCdSs) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-Cds(Cds-Cds)Cs) + gauche(CsOsCdSs) + other(R) + group ! (Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Sd-Cd) + other(R) + radical(Tertalkyl) S(12993) C 8 H 13 S 1 G100.000 5000.000 1132.30 1 8.78855013E+00 5.38806810E-02-2.36799938E-05 4.47301157E-09-3.11850596E-13 2 1.11911262E+04-2.25428723E+01 4.27958134E-01 8.34155193E-02-6.28058118E-05 3 2.75091535E-08-5.39797911E-12 1.30844699E+04 1.88309805E+01 4 ! Thermo group additivity estimation: group(Cds-CdsCsCs) + gauche(Cd(CsCs)) + other(R) + group(Cds-Cds(Cds-Cds)Cs) + gauche(CsOsCdSs) + other(R) + ! group(Ss-C=SCs) + gauche(Ss(CsR)) + other(R) + group(Cs-CdsSsHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsCsCs) + gauche(CsOsCdSs) + other(R) + ! group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cs-(Cds-Cds)HHH) + gauche(Cs(RRRR)) + other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + ! other(R) + group(Cds-CdsHH) + gauche(CsOsCdSs) + other(R) + group(Sd-Cd) + other(R) + radical(CsJ-CdSsH) S(13752) C 8 H 11 S 2 G100.000 5000.000 1320.81 1 2.19492418E+01 3.25506772E-02-1.27488013E-05 2.29416872E-09-1.56272029E-13 2 1.72432937E+04-9.23870137E+01-1.14253060E+00 1.02483653E-01-9.21702898E-05 3 4.23819034E-08-7.74407903E-12 2.33431908E+04 2.54423428E+01 4 ! Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds-CdsCsCs) + other(R) ! + group(Cds-CdsCsH) + other(R) + group(Cs-(Cds-Cds)(Cds-Cds)HH) + other(R) + group(Cds-CdsCsH) + other(R) + group(Cds-CdsCsCs) + other(R) + group(Cds- ! Cds(Cds-Cds)Cs) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cs-(Cds-Cds)HHH) + other(R) + group(Cds- ! CdsHH) + other(R) + group(Sd-Cd) + other(R) + ring(1,4-Cyclohexadiene) + radical(C=CCJC=C) S(14191) C 12 H 15 S 1 G100.000 5000.000 1041.74 1 2.16989266E+01 5.44073062E-02-2.11204748E-05 3.86397880E-09-2.69525422E-13 2 1.60932340E+04-9.57421952E+01-1.74457372E+00 1.07784895E-01-4.52220230E-05 3 -1.44741704E-08 1.22336671E-11 2.29657137E+04 2.78598971E+01 4 END REACTIONS KCAL/MOLE MOLES ! Reaction index: Chemkin #1; RMG #1 ! Library reaction: ditbutylsulfide S2(12)=S2JJ(13) 2.100e+10 1.000 0.000 ! Reaction index: Chemkin #2; RMG #2 ! Library reaction: ditbutylsulfide C4H9S(14)=C4H9SJ(15) 3.760e+03 2.400 12.280 ! Reaction index: Chemkin #3; RMG #3 ! Library reaction: ditbutylsulfide HSJ(16)+HSJ(16)+M=HSSH(17)+M 8.700e+18 -0.760 0.000 ! Reaction index: Chemkin #4; RMG #53 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds;SsJ) for rate rule (Cds-CsCs_Cds-HH;SsJ-H) C4H8(3)+HSJ(16)=C4H9S(14) 2.480e+02 2.914 -0.332 ! Reaction index: Chemkin #5; RMG #8 ! Template reaction: 1,3_Insertion_RSR ! Exact match found for rate rule (Cd/H2_Cd/Cs2;H_SCs(CsCsCs)) ! Multiplied by reaction path degeneracy 4 C4H8(3)+C4H9SH(4)=DTBS(1) 4.960e+00 3.330 40.400 ! Reaction index: Chemkin #6; RMG #19 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 H2S(2)+C4H9S(14)=C4H9SH(4)+HSJ(16) 3.340e+01 3.060 -0.400 ! Reaction index: Chemkin #7; RMG #21 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;S_pri_rad) C4H9SH(4)+HSJ(16)=H2S(2)+C4H9SJ(15) 9.030e+02 3.150 -0.500 ! Reaction index: Chemkin #8; RMG #63 ! Template reaction: 1,3_Insertion_RSR ! Exact match found for rate rule (Cd/H2_Cd/Cs2;H_SH) ! Multiplied by reaction path degeneracy 8 C4H8(3)+H2S(2)=C4H9SH(4) 3.736e+02 3.020 42.000 ! Reaction index: Chemkin #9; RMG #81 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H2/Cs) C4H9SH(4)+C4H9S(14)=C4H9SH(4)+C4H9SJ(15) 2.080e+01 3.060 -0.700 ! Reaction index: Chemkin #10; RMG #108 ! Template reaction: Birad_recombination ! Estimated using template (Rn;Y_rad_out;Ypri_rad_out) for rate rule (R8_SSSSSSS;S_rad;Spri_rad) ! Multiplied by reaction path degeneracy 2 S8J(8)=S8(6) 5.773e+12 0.019 1.585 ! Reaction index: Chemkin #11; RMG #113 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;SJ) for rate rule (Sd_R;SsJ-Ss) ! Multiplied by reaction path degeneracy 4 S6J(7)+S2(12)=S8J(8) 1.332e+03 2.967 -2.633 ! Reaction index: Chemkin #12; RMG #114 ! Template reaction: R_Recombination ! Estimated using template (SJ;SJ) for rate rule (SsJ-Ss;SJ) ! Multiplied by reaction path degeneracy 4 S6J(7)+S2JJ(13)=S8J(8) 4.240e+11 1.210 -0.950 ! Reaction index: Chemkin #13; RMG #111 ! Template reaction: Birad_recombination ! Estimated using template (Rn;Y_rad_out;Ypri_rad_out) for rate rule (R6_SSSSS;S_rad;Spri_rad) ! Multiplied by reaction path degeneracy 2 S6J(7)=S6(9) 5.773e+12 0.019 1.585 ! Reaction index: Chemkin #14; RMG #116 ! Template reaction: intra_substitutionS_cyclization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR6J_SSSS;SsJ-Ss;S-SsSs) ! Multiplied by reaction path degeneracy 2 S8J(8)=S6(9)+S2JJ(13) 5.949e+11 0.600 28.836 ! Reaction index: Chemkin #15; RMG #109 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;SJ) for rate rule (Sd_R;SsJ-Ss) ! Multiplied by reaction path degeneracy 4 S2(12)+S4J(10)=S6J(7) 1.332e+03 2.967 -2.633 ! Reaction index: Chemkin #16; RMG #112 ! Template reaction: R_Recombination ! Estimated using template (SJ;SJ) for rate rule (SsJ-Ss;SJ) ! Multiplied by reaction path degeneracy 4 S4J(10)+S2JJ(13)=S6J(7) 4.240e+11 1.210 -0.950 ! Reaction index: Chemkin #17; RMG #117 ! Template reaction: R_Recombination ! Estimated using template (SJ;SJ) for rate rule (SsJ-Ss;SsJ-Ss) ! Multiplied by reaction path degeneracy 4 S4J(10)+S4J(10)=S8J(8) 4.240e+11 1.210 -0.950 ! Reaction index: Chemkin #18; RMG #118 ! Template reaction: SubstitutionS ! Estimated using template (S-RR;SJ) for rate rule (S-SsSs;SsJ-Ss) ! Multiplied by reaction path degeneracy 4 S6J(7)+S4J(10)=S8J(8)+S2JJ(13) 2.232e+01 3.630 19.836 ! Reaction index: Chemkin #19; RMG #119 ! Template reaction: R_Addition_MultipleBond ! Estimated using an average for rate rule (Sd_R;SJ) ! Multiplied by reaction path degeneracy 4 S2(12)+S2JJ(13)=S4J(10) 1.332e+03 2.967 -2.633 ! Reaction index: Chemkin #20; RMG #120 ! Template reaction: 1,4_Linear_birad_scission ! Exact match found for rate rule (RJJ) ! Multiplied by reaction path degeneracy 2 ! Ea raised from 0.0 to 177.5 kJ/mol to match endothermicity of reaction. S4J(10)=S2(12)+S2(12) 1.000e+13 0.000 42.413 ! Reaction index: Chemkin #21; RMG #122 ! Template reaction: R_Recombination ! SsJ-Cs;SsJ-CsExact match found for rate rule (SJ;SJ) ! Multiplied by reaction path degeneracy 4 S2JJ(13)+S2JJ(13)=S4J(10) 4.240e+11 1.210 -0.950 ! Reaction index: Chemkin #22; RMG #110 ! Template reaction: intra_substitutionS_cyclization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR4J_SS;SsJ-Ss;S-SsSs) ! Multiplied by reaction path degeneracy 2 S6J(7)=S4(11)+S2JJ(13) 5.949e+11 0.600 37.106 ! Reaction index: Chemkin #23; RMG #115 ! Template reaction: intra_substitutionS_cyclization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR4J_SS;SsJ-Ss;S-SsSs) ! Multiplied by reaction path degeneracy 2 S8J(8)=S4(11)+S4J(10) 5.949e+11 0.600 44.343 ! Reaction index: Chemkin #24; RMG #121 ! Template reaction: Birad_recombination ! Estimated using template (Rn;Y_rad_out;Ypri_rad_out) for rate rule (R4_SSS;S_rad;Spri_rad) ! Multiplied by reaction path degeneracy 2 S4J(10)=S4(11) 5.773e+12 0.019 1.585 ! Reaction index: Chemkin #25; RMG #5 ! Template reaction: R_Recombination ! Exact match found for rate rule (SsJ-Cs;C_rad/Cs3) C4H9SJ(15)+C4H9(20)=DTBS(1) 8.940e+07 1.540 -1.320 ! Reaction index: Chemkin #26; RMG #75 ! Template reaction: R_Recombination ! Estimated using template (SJ;C_ter_rad) for rate rule (SsJ-H;C_rad/Cs3) HSJ(16)+C4H9(20)=C4H9SH(4) 5.935e+08 1.395 -1.030 ! Reaction index: Chemkin #27; RMG #86 ! Template reaction: SubstitutionS ! Estimated using template (S-HSs;CsJ) for rate rule (S-HSs(H);CsJ-CsCsCs) ! Multiplied by reaction path degeneracy 2 HSSH(17)+C4H9(20)=C4H9SH(4)+HSJ(16) 2.020e+04 2.410 4.693 ! Reaction index: Chemkin #28; RMG #89 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C4H9S(14)+C4H9(20)=C4H9SH(4)+C4H8(3) 2.070e+14 -0.350 0.000 ! Reaction index: Chemkin #29; RMG #100 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H2/Cs) C4H10(5)+C4H9S(14)=C4H9SH(4)+C4H9(20) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #30; RMG #102 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/Cs3) C4H9SH(4)+C4H9(20)=C4H10(5)+C4H9SJ(15) 1.380e+02 3.060 -3.200 ! Reaction index: Chemkin #31; RMG #104 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 H2S(2)+C4H9(20)=C4H10(5)+HSJ(16) 2.580e+02 3.060 -3.100 ! Reaction index: Chemkin #32; RMG #135 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cmethyl_Rrad) for rate rule (S_rad/NonDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C4H9(20)+C4H9SJ(15)=C4H9SH(4)+C4H8(3) 8.811e+12 0.000 0.000 ! Reaction index: Chemkin #33; RMG #137 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_pri_rad;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C4H9(20)+HSJ(16)=H2S(2)+C4H8(3) 7.316e+08 1.043 -1.400 ! Reaction index: Chemkin #34; RMG #151 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C4H9(20)+C4H9(20)=C4H10(5)+C4H8(3) 2.574e+16 -1.100 0.000 ! Reaction index: Chemkin #35; RMG #11 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 18 DTBS(1)+C4H9S(14)=C4H9SH(4)+C8H17S(23) 1.656e-02 4.340 9.200 ! Reaction index: Chemkin #36; RMG #13 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H2/Cs) C4H9SH(4)+C8H17S(23)=DTBS(1)+C4H9SJ(15) 2.080e+01 3.060 -0.700 ! Reaction index: Chemkin #37; RMG #15 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 H2S(2)+C8H17S(23)=DTBS(1)+HSJ(16) 3.340e+01 3.060 -0.400 ! Reaction index: Chemkin #38; RMG #45 ! Template reaction: 1,3_Insertion_RSR ! Estimated using template (Cd/unsub_Cd/disub;H_SCs) for rate rule (Cd/H2_Cd/Cs2;H_SCs) ! Multiplied by reaction path degeneracy 4 C4H8(3)+C4H9S(14)=C8H17S(23) 2.597e+01 3.200 40.150 ! Reaction index: Chemkin #39; RMG #49 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds;SsJ) for rate rule (Cds-CsCs_Cds-HH;SsJ-Cs) C4H8(3)+C4H9SJ(15)=C8H17S(23) 2.480e+02 2.914 -0.332 ! Reaction index: Chemkin #40; RMG #61 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C8H17S(23)+C4H9(20)=C4H8(3)+DTBS(1) 2.070e+14 -0.350 0.000 ! Reaction index: Chemkin #41; RMG #141 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H2/Cs) C4H10(5)+C8H17S(23)=C4H9(20)+DTBS(1) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #42; RMG #41 ! Template reaction: H_Abstraction ! Estimated using template (C/H3/Cd;C_rad/H2/Cs) for rate rule (C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 6 C4H8(3)+C4H9S(14)=C4H9SH(4)+C4H7(33) 1.740e-03 4.340 5.000 ! Reaction index: Chemkin #43; RMG #51 ! Template reaction: H_Abstraction ! Estimated using template (Cs_H;S_rad) for rate rule (C/H3/Cd\Cs_Cd\H2;S_rad/NonDeC) ! Multiplied by reaction path degeneracy 6 C4H8(3)+C4H9SJ(15)=C4H9SH(4)+C4H7(33) 3.512e+02 3.460 1.510 ! Reaction index: Chemkin #44; RMG #55 ! Template reaction: H_Abstraction ! Estimated using template (Cs_H;S_rad) for rate rule (C/H3/Cd\Cs_Cd\H2;S_pri_rad) ! Multiplied by reaction path degeneracy 6 C4H8(3)+HSJ(16)=H2S(2)+C4H7(33) 3.512e+02 3.460 1.510 ! Reaction index: Chemkin #45; RMG #65 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C4H7(33)+C4H9(20)=C4H8(3)+C4H8(3) 2.061e+14 -0.350 -0.130 ! Reaction index: Chemkin #46; RMG #147 ! Template reaction: H_Abstraction ! Estimated using template (C/H3/Cd;C_rad/Cs3) for rate rule (C/H3/Cd\Cs_Cd\H2;C_rad/Cs3) ! Multiplied by reaction path degeneracy 6 C4H9(20)+C4H8(3)=C4H10(5)+C4H7(33) 2.028e-03 4.340 3.700 ! Reaction index: Chemkin #47; RMG #200 ! Template reaction: H_Abstraction ! Estimated using template (C/H3/Cd;C_rad/H2/Cs) for rate rule (C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 6 C8H17S(23)+C4H8(3)=DTBS(1)+C4H7(33) 1.740e-03 4.340 5.000 ! Reaction index: Chemkin #48; RMG #216 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R3_D;doublebond_intra_secNd_2H;radadd_intra_cs2H) C4H7(33)=C4H7(86) 1.000e+09 0.190 20.000 ! Reaction index: Chemkin #49; RMG #319 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H2/Cd;C_rad/H2/Cd) C4H7(33)+C4H7(33)=C8H14(124) 1.020e+13 0.000 -0.260 ! Reaction index: Chemkin #50; RMG #54 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds-HH_Cds;SsJ-H) for rate rule (Cds-HH_Cds-CsCs;SsJ-H) C4H8(3)+HSJ(16)=C4H9S(45) 2.490e+03 2.700 -0.800 ! Reaction index: Chemkin #51; RMG #523 ! Template reaction: intra_substitutionS_isomerization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR3J_S;CsJ-3-CsHH;S-HC) C4H9S(14)=C4H9S(45) 3.078e+11 0.160 26.900 ! Reaction index: Chemkin #52; RMG #432 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds-HH_Cds;SsJ-H) for rate rule (Cds-HH_Cds-CsCs;SsJ-H) ! Multiplied by reaction path degeneracy 2 C8H14(124)+HSJ(16)=S(167) 4.980e+03 2.700 -0.800 ! Reaction index: Chemkin #53; RMG #50 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds-HH_Cds;SsJ-Cs) for rate rule (Cds-HH_Cds-CsCs;SsJ-Cs) C4H8(3)+C4H9SJ(15)=C8H17S(44) 7.390e+01 3.100 1.300 ! Reaction index: Chemkin #54; RMG #158 ! Template reaction: intra_substitutionS_isomerization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR3J_S;CsJ-3-CsHH;S-Cs(CsCsCs)C) C8H17S(23)=C8H17S(44) 3.078e+11 0.160 26.900 ! Reaction index: Chemkin #55; RMG #571 ! Template reaction: 1,3_Insertion_RSR ! Estimated using template (Cd/unsub_Cd/disub;H_SCs) for rate rule (Cd/H2_Cd/Cs2;H_SCs) ! Multiplied by reaction path degeneracy 4 C4H9S(45)+C4H8(3)=C8H17S(44) 2.597e+01 3.200 40.150 ! Reaction index: Chemkin #56; RMG #431 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds;SsJ) for rate rule (Cds-CsCs_Cds-HH;SsJ-H) ! Multiplied by reaction path degeneracy 2 C8H14(124)+HSJ(16)=S(166) 4.960e+02 2.914 -0.332 ! Reaction index: Chemkin #57; RMG #654 ! Template reaction: intra_substitutionS_isomerization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR3J_S;CsJ-3-CsHH;S-HC) S(166)=S(167) 3.078e+11 0.160 26.900 ! Reaction index: Chemkin #58; RMG #426 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds;SsJ) for rate rule (Cds-CsCs_Cds-HH;SsJ-Cs) ! Multiplied by reaction path degeneracy 2 C8H14(124)+C4H9SJ(15)=S(164) 4.960e+02 2.914 -0.332 ! Reaction index: Chemkin #59; RMG #1208 ! Template reaction: 1,3_Insertion_RSR ! Estimated using template (Cd/unsub_Cd/disub;H_SCs) for rate rule (Cd/H2_Cd/Cs2;H_SCs) ! Multiplied by reaction path degeneracy 4 S(166)+C4H8(3)=S(164) 2.597e+01 3.200 40.150 ! Reaction index: Chemkin #60; RMG #402 ! Template reaction: 1,4_Cyclic_birad_scission ! Estimated using template (RJJ) for rate rule (R6JJ) ! Multiplied by reaction path degeneracy 4 C8H14(154)=C8H14(124) 4.000e+13 0.000 0.000 ! Reaction index: Chemkin #61; RMG #427 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds-HH_Cds;SsJ-Cs) for rate rule (Cds-HH_Cds-CsCs;SsJ-Cs) ! Multiplied by reaction path degeneracy 2 C8H14(124)+C4H9SJ(15)=S(165) 1.478e+02 3.100 1.300 ! Reaction index: Chemkin #62; RMG #767 ! Template reaction: 1,3_Insertion_RSR ! Estimated using template (Cd/unsub_Cd/disub;H_SCs) for rate rule (Cd/H2_Cd/Cs2;H_SCs) ! Multiplied by reaction path degeneracy 4 S(167)+C4H8(3)=S(165) 2.597e+01 3.200 40.150 ! Reaction index: Chemkin #63; RMG #1439 ! Template reaction: intra_substitutionS_isomerization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR3J_S;CsJ-3-CsHH;S-Cs(CsCsCs)C) S(164)=S(165) 3.078e+11 0.160 26.900 ! Reaction index: Chemkin #64; RMG #417 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 4 C8H14(124)+C4H9S(14)=C4H9SH(4)+C8H13(150) 3.612e-03 4.340 3.500 ! Reaction index: Chemkin #65; RMG #428 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H/CdCs) C4H9SH(4)+C8H13(150)=C8H14(124)+C4H9SJ(15) 1.930e+02 3.060 5.700 ! Reaction index: Chemkin #66; RMG #433 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 H2S(2)+C8H13(150)=C8H14(124)+HSJ(16) 2.320e+02 3.060 7.400 ! Reaction index: Chemkin #67; RMG #444 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C8H13(150)+C4H9(20)=C8H14(124)+C4H8(3) 2.923e+13 -0.350 0.000 ! Reaction index: Chemkin #68; RMG #471 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 4 C8H14(124)+C4H9(20)=C4H10(5)+C8H13(150) 2.804e-03 4.340 1.900 ! Reaction index: Chemkin #69; RMG #478 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 4 C8H14(124)+C8H17S(23)=DTBS(1)+C8H13(150) 3.612e-03 4.340 3.500 ! Reaction index: Chemkin #70; RMG #493 ! Template reaction: H_Abstraction ! Estimated using template (C/H2/CdCs;C_rad/H2/Cd) for rate rule (C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2) ! Multiplied by reaction path degeneracy 4 C8H14(124)+C4H7(33)=C4H8(3)+C8H13(150) 1.808e-02 4.340 11.200 ! Reaction index: Chemkin #71; RMG #2320 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R4_S_D;doublebond_intra_2H_secNd;radadd_intra_csHCd) ! Ea raised from 83.4 to 85.5 kJ/mol to match endothermicity of reaction. C8H13(150)=C8H13(520) 2.004e+10 0.180 20.433 ! Reaction index: Chemkin #72; RMG #1765 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H14(154)+C4H9S(14)=C4H9SH(4)+C8H13(441) 1.160e+13 0.000 0.000 ! Reaction index: Chemkin #73; RMG #1772 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H14(154)+C4H9SJ(15)=C4H9SH(4)+C8H13(441) 5.752e+00 3.130 -3.650 ! Reaction index: Chemkin #74; RMG #1776 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_pri_rad;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H14(154)+HSJ(16)=H2S(2)+C8H13(441) 6.503e+08 1.043 -1.400 ! Reaction index: Chemkin #75; RMG #1802 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H14(154)+C4H9(20)=C4H10(5)+C8H13(441) 1.728e+15 -0.750 0.000 ! Reaction index: Chemkin #76; RMG #1805 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H14(154)+C8H17S(23)=DTBS(1)+C8H13(441) 1.160e+13 0.000 0.000 ! Reaction index: Chemkin #77; RMG #1811 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H14(154)+C4H7(33)=C4H8(3)+C8H13(441) 1.160e+13 0.000 -0.130 ! Reaction index: Chemkin #78; RMG #2308 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R6_SMS_D;doublebond_intra_secNd_2H;radadd_intra_cs2H) C8H13(150)=C8H13(441) 1.640e+10 0.190 23.350 ! Reaction index: Chemkin #79; RMG #2921 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H13(150)+C8H14(154)=C8H14(124)+C8H13(441) 6.104e+12 0.000 -0.550 ! Reaction index: Chemkin #80; RMG #3045 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R5_SS_D;doublebond_intra_secNd_2H;radadd_intra_cs2H) ! Multiplied by reaction path degeneracy 2 C8H13(520)=C8H13(649) 1.214e+10 0.190 15.820 ! Reaction index: Chemkin #81; RMG #3495 ! Template reaction: Intra_R_Add_Exocyclic ! Exact match found for rate rule (R4_S_D;doublebond_intra_NdNd_pri;radadd_intra_csNdNd) ! Ea raised from 51.9 to 54.2 kJ/mol to match endothermicity of reaction. C8H13(441)=C8H13(649) 1.420e+12 0.210 12.947 DUPLICATE ! Reaction index: Chemkin #82; RMG #3510 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R5_SS_D;doublebond_intra_secNd_HNd;radadd_intra_csNdNd) C8H13(441)=C8H13(649) 6.910e+10 0.190 16.490 DUPLICATE ! Reaction index: Chemkin #83; RMG #4010 ! Template reaction: Intra_R_Add_Exocyclic ! Exact match found for rate rule (R4_S_D;doublebond_intra_NdNd_pri;radadd_intra_cs2H) C8H13(807)=C8H13(649) 6.770e+11 0.210 8.380 DUPLICATE ! Reaction index: Chemkin #84; RMG #4022 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R6_SSS_D;doublebond_intra_secNd;radadd_intra_cs2H) C8H13(807)=C8H13(649) 1.000e+09 0.190 20.000 DUPLICATE ! Reaction index: Chemkin #85; RMG #3508 ! Template reaction: intra_H_migration ! Estimated using template (R5H_SSSS;C_rad_out_single;Cs_H_out_2H) for rate rule (R5H_SSSS;C_rad_out_Cs2;Cs_H_out_2H) ! Multiplied by reaction path degeneracy 6 C8H13(441)=C8H13(744) 2.568e+12 -1.050 11.760 ! Reaction index: Chemkin #86; RMG #4390 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (R6;doublebond_intra;radadd_intra_cs) for rate rule (R6_SSS_D;doublebond_intra;radadd_intra_cs2H) ! Ea raised from 43.5 to 47.3 kJ/mol to match endothermicity of reaction. C8H13(807)=C8H13(853) 2.510e+10 0.000 11.315 DUPLICATE ! Reaction index: Chemkin #87; RMG #4406 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R4_S_D;doublebond_intra_pri_NdNd;radadd_intra_cs2H) C8H13(807)=C8H13(853) 2.500e+10 0.190 34.400 DUPLICATE ! Reaction index: Chemkin #88; RMG #3503 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R2H_S;C_rad_out_H/NonDeC;Cs_H_out_Cs2) ! Multiplied by reaction path degeneracy 2 C8H13(739)=C8H13(441) 1.450e+11 0.600 36.900 ! Reaction index: Chemkin #89; RMG #4947 ! Template reaction: intra_H_migration ! Estimated using template (R4H_SSS;C_rad_out_single;Cs_H_out_2H) for rate rule (R4H_SSS;C_rad_out_H/NonDeC;Cs_H_out_2H) ! Multiplied by reaction path degeneracy 6 C8H13(739)=C8H13(744) 1.524e+10 0.350 19.760 ! Reaction index: Chemkin #90; RMG #4020 ! Template reaction: intra_H_migration ! Estimated using template (R3H_SS;C_rad_out_Cs2;Cs_H_out_H/NonDeC) for rate rule (R3H_SS_Cs;C_rad_out_Cs2;Cs_H_out_H/(NonDeC/Cs/Cs/Cs)) ! Multiplied by reaction path degeneracy 6 C8H13(649)=C8H13(817) 1.026e+08 1.410 36.100 ! Reaction index: Chemkin #91; RMG #6098 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R4_S_D;doublebond_intra_HNd_secNd;radadd_intra_csHNd) C8H13(739)=C8H13(817) 2.004e+10 0.180 19.934 DUPLICATE ! Reaction index: Chemkin #92; RMG #6114 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R5_SS_D;doublebond_intra_pri_NdNd;radadd_intra_csHNd) C8H13(739)=C8H13(817) 4.810e+10 0.190 18.300 DUPLICATE ! Reaction index: Chemkin #93; RMG #3505 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R2H_S;C_rad_out_2H;Cs_H_out_Cs2) C8H13(741)=C8H13(441) 4.040e+10 0.640 33.900 ! Reaction index: Chemkin #94; RMG #4949 ! Template reaction: intra_H_migration ! Estimated using template (R6H_SSSSS;C_rad_out_single;Cs_H_out_2H) for rate rule (R6H_SSSSS;C_rad_out_2H;Cs_H_out_2H) ! Multiplied by reaction path degeneracy 6 C8H13(741)=C8H13(744) 2.568e+12 -1.050 11.760 ! Reaction index: Chemkin #95; RMG #6111 ! Template reaction: intra_H_migration ! Estimated using template (R3H_SS;C_rad_out_2H;Cs_H_out_H/NonDeC) for rate rule (R3H_SS_Cs;C_rad_out_2H;Cs_H_out_H/NonDeC) ! Multiplied by reaction path degeneracy 4 C8H13(741)=C8H13(739) 2.360e+10 0.820 35.100 ! Reaction index: Chemkin #96; RMG #7177 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (R6;doublebond_intra;radadd_intra_cs) for rate rule (R6_SSS_D;doublebond_intra_HNd_secNd;radadd_intra_cs2H) C8H13(741)=S(1218) 2.510e+10 0.000 6.850 DUPLICATE ! Reaction index: Chemkin #97; RMG #7192 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R5_SS_D;doublebond_intra_pri_NdNd;radadd_intra_cs2H) C8H13(741)=S(1218) 6.640e+09 0.190 18.320 DUPLICATE ! Reaction index: Chemkin #98; RMG #7876 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (R6;doublebond_intra;radadd_intra_cs) for rate rule (R6_SSS_D;doublebond_intra_HNd_secNd;radadd_intra_cs2H) S(1311)=S(1218) 2.510e+10 0.000 6.850 DUPLICATE ! Reaction index: Chemkin #99; RMG #7885 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R6_SSS_D;doublebond_intra_pri_NdNd;radadd_intra_cs2H) S(1311)=S(1218) 4.190e+08 0.190 11.570 DUPLICATE ! Reaction index: Chemkin #100; RMG #8399 ! Template reaction: Intra_R_Add_Exocyclic ! Exact match found for rate rule (R6_SSS_D;doublebond_intra_NdNd_pri;radadd_intra_cs2H) S(1311)=S(1368) 8.810e+09 0.210 6.890 DUPLICATE ! Reaction index: Chemkin #101; RMG #8417 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R6_SSS_D;doublebond_intra_secNd_HNd;radadd_intra_cs2H) S(1311)=S(1368) 2.400e+09 0.190 9.400 DUPLICATE ! Reaction index: Chemkin #102; RMG #9152 ! Template reaction: Intra_R_Add_Exocyclic ! Exact match found for rate rule (R6_SSS_D;doublebond_intra_NdNd_pri;radadd_intra_cs2H) S(1476)=S(1368) 8.810e+09 0.210 6.890 DUPLICATE ! Reaction index: Chemkin #103; RMG #9164 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R5_SS_D;doublebond_intra_secNd_HNd;radadd_intra_cs2H) S(1476)=S(1368) 3.800e+10 0.190 16.150 DUPLICATE ! Reaction index: Chemkin #104; RMG #7176 ! Template reaction: Intra_R_Add_Exocyclic ! Exact match found for rate rule (R5_SS_D;doublebond_intra_NdNd_pri;radadd_intra_cs2H) C8H13(741)=S(1217) 2.680e+11 0.210 16.590 DUPLICATE ! Reaction index: Chemkin #105; RMG #7193 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R6_SSS_D;doublebond_intra_secNd_HNd;radadd_intra_cs2H) C8H13(741)=S(1217) 2.400e+09 0.190 9.400 DUPLICATE ! Reaction index: Chemkin #106; RMG #9163 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R5_SS_D;doublebond_intra_secNd_2H;radadd_intra_csHNd) ! Multiplied by reaction path degeneracy 2 S(1487)=S(1368) 8.800e+10 0.190 15.810 ! Reaction index: Chemkin #107; RMG #3506 ! Template reaction: intra_H_migration ! Estimated using template (R3H_SS;C_rad_out_Cs2;Cs_H_out_H/OneDe) for rate rule (R3H_SS_Cs;C_rad_out_Cs2;Cs_H_out_H/Cd) ! Multiplied by reaction path degeneracy 4 C8H13(441)=C8H13(742) 2.560e+07 1.560 30.300 ! Reaction index: Chemkin #108; RMG #4945 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R3H_SS_2Cd;C_rad_out_H/NonDeC;Cs_H_out_2H) ! Multiplied by reaction path degeneracy 6 C8H13(742)=C8H13(744) 3.384e+09 1.470 53.300 ! Reaction index: Chemkin #109; RMG #6109 ! Template reaction: intra_H_migration ! Estimated using template (R2H_S;C_rad_out_H/NonDeC;Cs_H_out_H/OneDe) for rate rule (R2H_S;C_rad_out_H/NonDeC;Cs_H_out_H/Cd) ! Multiplied by reaction path degeneracy 4 C8H13(739)=C8H13(742) 3.364e+10 0.350 29.900 ! Reaction index: Chemkin #110; RMG #7190 ! Template reaction: intra_H_migration ! Estimated using template (R4H_SSS;C_rad_out_2H;Cs_H_out_H/OneDe) for rate rule (R4H_SSS;C_rad_out_2H;Cs_H_out_H/Cd) ! Multiplied by reaction path degeneracy 4 C8H13(741)=C8H13(742) 4.520e-04 4.370 8.060 ! Reaction index: Chemkin #111; RMG #3504 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R2H_S;C_rad_out_H/OneDe;Cs_H_out_Cs2) ! Multiplied by reaction path degeneracy 2 C8H13(740)=C8H13(441) 2.020e+12 0.330 42.300 ! Reaction index: Chemkin #112; RMG #4948 ! Template reaction: intra_H_migration ! Estimated using average of templates (R4Hall;C_rad_out_single;Cs_H_out) + (R4H_SMS;Y_rad_out;XH_out) for rate rule ! (R4H_SDS;C_rad_out_2H;Cs_H_out_H/(NonDeC/Cs/Cs)) ! Multiplied by reaction path degeneracy 4 C8H13(744)=C8H13(740) 8.228e+06 1.125 77.983 ! Reaction index: Chemkin #113; RMG #6110 ! Template reaction: intra_H_migration ! Estimated using template (R3H_SS;C_rad_out_H/NonDeC;Cs_H_out_H/OneDe) for rate rule (R3H_SS_Cs;C_rad_out_H/NonDeC;Cs_H_out_H/Cd) ! Multiplied by reaction path degeneracy 4 C8H13(739)=C8H13(740) 1.364e+10 0.730 30.500 ! Reaction index: Chemkin #114; RMG #7189 ! Template reaction: intra_H_migration ! Estimated using template (R3H_SS;C_rad_out_2H;Cs_H_out_H/OneDe) for rate rule (R3H_SS_Cs;C_rad_out_2H;Cs_H_out_H/Cd) ! Multiplied by reaction path degeneracy 4 C8H13(741)=C8H13(740) 6.640e+08 1.100 29.400 ! Reaction index: Chemkin #115; RMG #11962 ! Template reaction: intra_H_migration ! Estimated using template (R4H_SSS;C_rad_out_single;Cs_H_out_1H) for rate rule (R4H_SSS;C_rad_out_H/OneDe;Cs_H_out_H/OneDe) ! Multiplied by reaction path degeneracy 4 C8H13(742)=C8H13(740) 1.288e+10 0.130 20.700 ! Reaction index: Chemkin #116; RMG #11950 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (R6;doublebond_intra;radadd_intra_cs) for rate rule (R6_SSS_D;doublebond_intra;radadd_intra_cs) ! Ea raised from 96.4 to 97.7 kJ/mol to match endothermicity of reaction. C8H13(742)=S(1769) 2.510e+10 0.000 23.358 DUPLICATE ! Reaction index: Chemkin #117; RMG #11963 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R3_D;doublebond_intra_secNd_HNd;radadd_intra_csHNd) ! Ea raised from 96.4 to 97.7 kJ/mol to match endothermicity of reaction. C8H13(742)=S(1769) 1.000e+09 0.190 23.358 DUPLICATE ! Reaction index: Chemkin #118; RMG #9758 ! Template reaction: intra_H_migration ! Estimated using template (R4H_SSS;C_rad_out_2H;Cs_H_out_H/OneDe) for rate rule (R4H_SSS;C_rad_out_2H;Cs_H_out_H/Cd) ! Multiplied by reaction path degeneracy 4 S(1476)=S(1551) 4.520e-04 4.370 8.060 ! Reaction index: Chemkin #119; RMG #9756 ! Template reaction: intra_H_migration ! Estimated using template (R3H_SS;C_rad_out_2H;Cs_H_out_H/OneDe) for rate rule (R3H_SS_Cs;C_rad_out_2H;Cs_H_out_H/Cd) ! Multiplied by reaction path degeneracy 4 S(1476)=S(1549) 6.640e+08 1.100 29.400 ! Reaction index: Chemkin #120; RMG #14514 ! Template reaction: intra_H_migration ! Estimated using template (R4H_SSS;C_rad_out_single;Cs_H_out_1H) for rate rule (R4H_SSS;C_rad_out_H/OneDe;Cs_H_out_H/OneDe) ! Multiplied by reaction path degeneracy 4 S(1551)=S(1549) 1.288e+10 0.130 20.700 ! Reaction index: Chemkin #121; RMG #15840 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R5H_SSSS;C_rad_out_2H;Cs_H_out_H/OneDe) ! Multiplied by reaction path degeneracy 4 S(2083)=S(1549) 1.844e+02 3.210 6.530 ! Reaction index: Chemkin #122; RMG #17180 ! Template reaction: Intra_R_Add_Exocyclic ! Exact match found for rate rule (R4_S_D;doublebond_intra_NdNd_pri;radadd_intra_cs2H) S(2083)=S(2163) 6.770e+11 0.210 8.380 DUPLICATE ! Reaction index: Chemkin #123; RMG #17200 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R7;doublebond_intra_secNd;radadd_intra_cs2H) S(2083)=S(2163) 1.000e+09 0.190 20.000 DUPLICATE ! Reaction index: Chemkin #124; RMG #18224 ! Template reaction: Intra_R_Add_Exocyclic ! Exact match found for rate rule (R4_S_D;doublebond_intra_NdNd_pri;radadd_intra_csHNd) S(2260)=S(2163) 4.530e+12 0.210 8.600 DUPLICATE ! Reaction index: Chemkin #125; RMG #18236 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R6_SSS_D;doublebond_intra_secNd_HNd;radadd_intra_csHNd) S(2260)=S(2163) 1.740e+10 0.190 9.380 DUPLICATE ! Reaction index: Chemkin #126; RMG #15839 ! Template reaction: intra_H_migration ! Estimated using template (R4H_SSS;C_rad_out_single;Cs_H_out_noH) for rate rule (R4H_SSS;C_rad_out_H/OneDe;Cs_H_out_noH) ! Multiplied by reaction path degeneracy 2 S(1549)=S(2082) 3.720e+10 0.580 26.190 ! Reaction index: Chemkin #127; RMG #17194 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R2H_S;C_rad_out_OneDe/Cs;Cs_H_out_2H) ! Multiplied by reaction path degeneracy 3 S(2082)=S(2083) 2.307e+09 1.310 48.600 ! Reaction index: Chemkin #128; RMG #14494 ! Template reaction: intra_H_migration ! Estimated using template (R4H_SSS;C_rad_out_single;Cs_H_out_noH) for rate rule (R4H_SSS;C_rad_out_H/OneDe;Cs_H_out_noH) ! Multiplied by reaction path degeneracy 2 S(1968)=S(1551) 3.720e+10 0.580 26.190 ! Reaction index: Chemkin #129; RMG #14491 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R2H_S;C_rad_out_OneDe/Cs;Cs_H_out_2H) ! Multiplied by reaction path degeneracy 3 S(1551)=S(1965) 2.307e+09 1.310 48.600 ! Reaction index: Chemkin #130; RMG #21104 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R5H_SSSS;C_rad_out_2H;Cs_H_out_H/OneDe) ! Multiplied by reaction path degeneracy 4 S(1965)=S(1968) 1.844e+02 3.210 6.530 ! Reaction index: Chemkin #131; RMG #22029 ! Template reaction: Intra_R_Add_Exocyclic ! Exact match found for rate rule (R4_S_D;doublebond_intra_HNd_pri;radadd_intra_cs2H) S(1965)=S(2490) 4.040e+11 0.210 8.650 DUPLICATE ! Reaction index: Chemkin #132; RMG #22051 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R7;doublebond_intra_pri;radadd_intra_cs2H) S(1965)=S(2490) 1.000e+09 0.190 20.000 DUPLICATE ! Reaction index: Chemkin #133; RMG #23191 ! Template reaction: Intra_R_Add_Exocyclic ! Exact match found for rate rule (R4_S_D;doublebond_intra_HNd_pri;radadd_intra_csHNd) S(2592)=S(2490) 2.700e+12 0.210 8.870 DUPLICATE ! Reaction index: Chemkin #134; RMG #23203 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R6_SSS_D;doublebond_intra_pri_HNd;radadd_intra_csHNd) S(2592)=S(2490) 1.390e+10 0.190 9.780 DUPLICATE ! Reaction index: Chemkin #135; RMG #19039 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (R6;doublebond_intra;radadd_intra_cs) for rate rule (R6_SSS_D;doublebond_intra_HNd_secNd;radadd_intra_csHNd) S(2260)=S(2306) 2.510e+10 0.000 6.850 DUPLICATE ! Reaction index: Chemkin #136; RMG #19053 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R4_S_D;doublebond_intra_pri_NdNd;radadd_intra_csHNd) S(2260)=S(2306) 1.810e+11 0.190 34.380 DUPLICATE ! Reaction index: Chemkin #137; RMG #15805 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (R6;doublebond_intra;radadd_intra_cs) for rate rule (R6_SSS_D;doublebond_intra;radadd_intra_cs) ! Ea raised from 96.4 to 97.7 kJ/mol to match endothermicity of reaction. S(1549)=S(2061) 2.510e+10 0.000 23.358 DUPLICATE ! Reaction index: Chemkin #138; RMG #15820 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R3_D;doublebond_intra_secNd_HNd;radadd_intra_csHNd) ! Ea raised from 96.4 to 97.7 kJ/mol to match endothermicity of reaction. S(1549)=S(2061) 1.000e+09 0.190 23.358 DUPLICATE ! Reaction index: Chemkin #139; RMG #24051 ! Template reaction: Intra_R_Add_Exocyclic ! Exact match found for rate rule (R6_SSS_D;doublebond_intra_HNd_pri;radadd_intra_csHNd) S(2592)=S(2637) 3.520e+10 0.210 7.380 DUPLICATE ! Reaction index: Chemkin #140; RMG #24068 ! Template reaction: Intra_R_Add_Endocyclic ! Exact match found for rate rule (R4_S_D;doublebond_intra_pri_HNd;radadd_intra_csHNd) S(2592)=S(2637) 8.290e+11 0.190 32.620 DUPLICATE ! Reaction index: Chemkin #141; RMG #1749 ! Template reaction: Intra_Disproportionation ! Estimated using template (R3;Y_rad_NDe;XH_Rrad_NDe) for rate rule (R3radExo;Y_rad_NDe;XH_Rrad_NDe) ! Multiplied by reaction path degeneracy 16 C8H14(154)=C8H14(443) 2.592e+11 -0.305 20.000 ! Reaction index: Chemkin #142; RMG #3585 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H2/Cs) C8H14(443)+C8H17S(23)=C8H13(441)+DTBS(1) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #143; RMG #3587 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H13(441)+H2S(2)=C8H14(443)+HSJ(16) 2.580e+02 3.060 -3.100 ! Reaction index: Chemkin #144; RMG #3606 ! Template reaction: H_Abstraction ! Estimated using template (C/H3/Cd;C_rad/Cs3) for rate rule (C/H3/Cd\Cs_Cd\H2;C_rad/Cs3) ! Multiplied by reaction path degeneracy 6 C8H13(441)+C4H8(3)=C8H14(443)+C4H7(33) 2.028e-03 4.340 3.700 ! Reaction index: Chemkin #145; RMG #3615 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H2/Cs) C8H14(443)+C4H9S(14)=C8H13(441)+C4H9SH(4) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #146; RMG #3616 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/Cs3) C8H13(441)+C4H9SH(4)=C8H14(443)+C4H9SJ(15) 1.380e+02 3.060 -3.200 ! Reaction index: Chemkin #147; RMG #3625 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/Cs3) C8H14(443)+C4H9(20)=C8H13(441)+C4H10(5) 5.420e-04 4.340 4.900 ! Reaction index: Chemkin #148; RMG #3627 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C8H13(441)+C4H9(20)=C8H14(443)+C4H8(3) 2.574e+16 -1.100 0.000 ! Reaction index: Chemkin #149; RMG #3716 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 4 C8H13(441)+C8H14(124)=C8H14(443)+C8H13(150) 2.804e-03 4.340 1.900 ! Reaction index: Chemkin #150; RMG #3862 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H13(441)+C8H14(154)=C8H14(443)+C8H13(441) 1.728e+15 -0.750 0.000 ! Reaction index: Chemkin #151; RMG #5081 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 3 C8H14(443)+C8H17S(23)=C8H13(744)+DTBS(1) 8.700e-04 4.340 5.000 ! Reaction index: Chemkin #152; RMG #5086 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(744)+H2S(2)=C8H14(443)+HSJ(16) 2.420e+02 3.060 7.400 ! Reaction index: Chemkin #153; RMG #5104 ! Template reaction: H_Abstraction ! Estimated using template (C/H3/Cd;C_rad/H2/Cd) for rate rule (C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 6 C8H13(744)+C4H8(3)=C8H14(443)+C4H7(33) 8.700e-03 4.340 13.600 ! Reaction index: Chemkin #154; RMG #5126 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 3 C8H14(443)+C4H9S(14)=C8H13(744)+C4H9SH(4) 8.700e-04 4.340 5.000 ! Reaction index: Chemkin #155; RMG #5127 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H2/Cd) C8H13(744)+C4H9SH(4)=C8H14(443)+C4H9SJ(15) 2.170e+02 3.060 5.600 ! Reaction index: Chemkin #156; RMG #5137 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 3 C8H14(443)+C4H9(20)=C8H13(744)+C4H10(5) 1.014e-03 4.340 3.700 ! Reaction index: Chemkin #157; RMG #5142 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C8H13(744)+C4H9(20)=C8H14(443)+C4H8(3) 2.061e+14 -0.350 -0.130 ! Reaction index: Chemkin #158; RMG #5262 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 4 C8H13(744)+C8H14(124)=C8H14(443)+C8H13(150) 1.808e-02 4.340 11.200 ! Reaction index: Chemkin #159; RMG #5473 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H13(744)+C8H14(154)=C8H14(443)+C8H13(441) 1.160e+13 0.000 -0.130 ! Reaction index: Chemkin #160; RMG #6191 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/NonDeC;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H17S(23)=C8H13(739)+DTBS(1) 1.840e-03 4.340 7.000 ! Reaction index: Chemkin #161; RMG #6193 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 2 C8H13(739)+H2S(2)=C8H14(443)+HSJ(16) 6.760e+01 3.060 -1.400 ! Reaction index: Chemkin #162; RMG #6211 ! Template reaction: H_Abstraction ! Estimated using template (C/H3/Cd;C_rad/H/NonDeC) for rate rule (C/H3/Cd\Cs_Cd\H2;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 6 C8H13(739)+C4H8(3)=C8H14(443)+C4H7(33) 2.016e-03 4.340 4.700 ! Reaction index: Chemkin #163; RMG #6221 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/NonDeC;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C4H9S(14)=C8H13(739)+C4H9SH(4) 1.840e-03 4.340 7.000 ! Reaction index: Chemkin #164; RMG #6222 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H/NonDeC) C8H13(739)+C4H9SH(4)=C8H14(443)+C4H9SJ(15) 3.910e+01 3.060 -1.600 ! Reaction index: Chemkin #165; RMG #6231 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H/NonDeC) C8H13(739)+C4H10(5)=C8H14(443)+C4H9(20) 8.110e-04 4.340 5.300 ! Reaction index: Chemkin #166; RMG #6233 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H/NonDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C8H13(739)+C4H9(20)=C8H14(443)+C4H8(3) 1.899e+15 -0.700 0.000 ! Reaction index: Chemkin #167; RMG #6319 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 4 C8H13(739)+C8H14(124)=C8H14(443)+C8H13(150) 3.412e-03 4.340 3.100 ! Reaction index: Chemkin #168; RMG #6459 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H/NonDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H13(739)+C8H14(154)=C8H14(443)+C8H13(441) 4.104e+14 -0.350 0.000 ! Reaction index: Chemkin #169; RMG #7291 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 18 C8H13(741)+DTBS(1)=C8H14(443)+C8H17S(23) 1.656e-02 4.340 9.200 ! Reaction index: Chemkin #170; RMG #7293 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H13(741)+H2S(2)=C8H14(443)+HSJ(16) 3.340e+01 3.060 -0.400 ! Reaction index: Chemkin #171; RMG #7311 ! Template reaction: H_Abstraction ! Estimated using template (C/H3/Cd;C_rad/H2/Cs) for rate rule (C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 6 C8H13(741)+C4H8(3)=C8H14(443)+C4H7(33) 1.740e-03 4.340 5.000 ! Reaction index: Chemkin #172; RMG #7321 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 9 C8H13(741)+C4H9SH(4)=C8H14(443)+C4H9S(14) 8.280e-03 4.340 9.200 ! Reaction index: Chemkin #173; RMG #7322 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H2/Cs) C8H13(741)+C4H9SH(4)=C8H14(443)+C4H9SJ(15) 2.080e+01 3.060 -0.700 ! Reaction index: Chemkin #174; RMG #7331 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H2/Cs) C8H13(741)+C4H10(5)=C8H14(443)+C4H9(20) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #175; RMG #7333 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C8H13(741)+C4H9(20)=C8H14(443)+C4H8(3) 2.070e+14 -0.350 0.000 ! Reaction index: Chemkin #176; RMG #7419 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 4 C8H13(741)+C8H14(124)=C8H14(443)+C8H13(150) 3.612e-03 4.340 3.500 ! Reaction index: Chemkin #177; RMG #7559 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H13(741)+C8H14(154)=C8H14(443)+C8H13(441) 1.160e+13 0.000 0.000 ! Reaction index: Chemkin #178; RMG #12025 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H17S(23)=C8H13(742)+DTBS(1) 1.806e-03 4.340 3.500 ! Reaction index: Chemkin #179; RMG #12027 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 C8H13(742)+H2S(2)=C8H14(443)+HSJ(16) 2.320e+02 3.060 7.400 ! Reaction index: Chemkin #180; RMG #12041 ! Template reaction: H_Abstraction ! Estimated using template (C/H2/CdCs;C_rad/H2/Cd) for rate rule (C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C4H7(33)=C8H13(742)+C4H8(3) 9.040e-03 4.340 11.200 ! Reaction index: Chemkin #181; RMG #12051 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C4H9S(14)=C8H13(742)+C4H9SH(4) 1.806e-03 4.340 3.500 ! Reaction index: Chemkin #182; RMG #12052 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H/CdCs) C8H13(742)+C4H9SH(4)=C8H14(443)+C4H9SJ(15) 1.930e+02 3.060 5.700 ! Reaction index: Chemkin #183; RMG #12057 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C4H9(20)=C8H13(742)+C4H10(5) 1.402e-03 4.340 1.900 ! Reaction index: Chemkin #184; RMG #12059 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C8H13(742)+C4H9(20)=C8H14(443)+C4H8(3) 2.923e+13 -0.350 0.000 ! Reaction index: Chemkin #185; RMG #12137 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 4 C8H13(742)+C8H14(124)=C8H14(443)+C8H13(150) 9.160e-03 4.340 11.700 ! Reaction index: Chemkin #186; RMG #12262 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H13(742)+C8H14(154)=C8H14(443)+C8H13(441) 6.104e+12 0.000 -0.550 ! Reaction index: Chemkin #187; RMG #12823 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H17S(23)=C8H13(740)+DTBS(1) 1.806e-03 4.340 3.500 ! Reaction index: Chemkin #188; RMG #12828 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 C8H13(740)+H2S(2)=C8H14(443)+HSJ(16) 2.320e+02 3.060 7.400 ! Reaction index: Chemkin #189; RMG #12846 ! Template reaction: H_Abstraction ! Estimated using template (C/H2/CdCs;C_rad/H2/Cd) for rate rule (C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C4H7(33)=C8H13(740)+C4H8(3) 9.040e-03 4.340 11.200 ! Reaction index: Chemkin #190; RMG #12866 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C4H9S(14)=C8H13(740)+C4H9SH(4) 1.806e-03 4.340 3.500 ! Reaction index: Chemkin #191; RMG #12867 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H/CdCs) C8H13(740)+C4H9SH(4)=C8H14(443)+C4H9SJ(15) 1.930e+02 3.060 5.700 ! Reaction index: Chemkin #192; RMG #12877 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C4H9(20)=C8H13(740)+C4H10(5) 1.402e-03 4.340 1.900 ! Reaction index: Chemkin #193; RMG #12882 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C8H13(740)+C4H9(20)=C8H14(443)+C4H8(3) 2.923e+13 -0.350 0.000 ! Reaction index: Chemkin #194; RMG #13000 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 4 C8H13(740)+C8H14(124)=C8H14(443)+C8H13(150) 9.160e-03 4.340 11.700 ! Reaction index: Chemkin #195; RMG #13203 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H13(740)+C8H14(154)=C8H14(443)+C8H13(441) 6.104e+12 0.000 -0.550 ! Reaction index: Chemkin #196; RMG #28480 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H/NonDeC) C8H14(443)+C8H13(739)=C8H14(443)+C8H13(441) 8.110e-04 4.340 5.300 ! Reaction index: Chemkin #197; RMG #28481 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H13(441)=C8H14(443)+C8H13(740) 1.402e-03 4.340 1.900 ! Reaction index: Chemkin #198; RMG #28482 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H13(441)=C8H14(443)+C8H13(742) 1.402e-03 4.340 1.900 ! Reaction index: Chemkin #199; RMG #28484 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H2/Cs) C8H14(443)+C8H13(741)=C8H14(443)+C8H13(441) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #200; RMG #28485 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 3 C8H14(443)+C8H13(441)=C8H14(443)+C8H13(744) 1.014e-03 4.340 3.700 ! Reaction index: Chemkin #201; RMG #28546 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 3 C8H14(443)+C8H13(739)=C8H14(443)+C8H13(744) 1.008e-03 4.340 4.700 ! Reaction index: Chemkin #202; RMG #28547 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H13(744)=C8H14(443)+C8H13(740) 9.040e-03 4.340 11.200 ! Reaction index: Chemkin #203; RMG #28548 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H13(744)=C8H14(443)+C8H13(742) 9.040e-03 4.340 11.200 ! Reaction index: Chemkin #204; RMG #28550 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 3 C8H14(443)+C8H13(741)=C8H14(443)+C8H13(744) 8.700e-04 4.340 5.000 ! Reaction index: Chemkin #205; RMG #28596 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H13(739)=C8H14(443)+C8H13(740) 1.706e-03 4.340 3.100 ! Reaction index: Chemkin #206; RMG #28597 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H13(739)=C8H14(443)+C8H13(742) 1.706e-03 4.340 3.100 ! Reaction index: Chemkin #207; RMG #28599 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/NonDeC;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H13(741)=C8H14(443)+C8H13(739) 1.840e-03 4.340 7.000 ! Reaction index: Chemkin #208; RMG #28633 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H13(741)=C8H14(443)+C8H13(740) 1.806e-03 4.340 3.500 ! Reaction index: Chemkin #209; RMG #28634 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H13(741)=C8H14(443)+C8H13(742) 1.806e-03 4.340 3.500 ! Reaction index: Chemkin #210; RMG #28778 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H13(742)=C8H14(443)+C8H13(740) 4.580e-03 4.340 11.700 ! Reaction index: Chemkin #211; RMG #9248 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 18 S(1368)+DTBS(1)=S(1507)+C8H17S(23) 1.908e-02 4.340 9.700 ! Reaction index: Chemkin #212; RMG #9250 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 S(1368)+H2S(2)=S(1507)+HSJ(16) 2.580e+02 3.060 -3.100 ! Reaction index: Chemkin #213; RMG #9264 ! Template reaction: H_Abstraction ! Estimated using template (C/H3/Cd;C_rad/Cs3) for rate rule (C/H3/Cd\Cs_Cd\H2;C_rad/Cs3) ! Multiplied by reaction path degeneracy 6 S(1368)+C4H8(3)=S(1507)+C4H7(33) 2.028e-03 4.340 3.700 ! Reaction index: Chemkin #214; RMG #9266 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 9 S(1368)+C4H9SH(4)=S(1507)+C4H9S(14) 9.540e-03 4.340 9.700 ! Reaction index: Chemkin #215; RMG #9267 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/Cs3) S(1368)+C4H9SH(4)=S(1507)+C4H9SJ(15) 1.380e+02 3.060 -3.200 ! Reaction index: Chemkin #216; RMG #9270 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/Cs3) S(1368)+C4H10(5)=S(1507)+C4H9(20) 5.420e-04 4.340 4.900 ! Reaction index: Chemkin #217; RMG #9272 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 S(1368)+C4H9(20)=S(1507)+C4H8(3) 2.574e+16 -1.100 0.000 ! Reaction index: Chemkin #218; RMG #9334 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 4 S(1368)+C8H14(124)=S(1507)+C8H13(150) 2.804e-03 4.340 1.900 ! Reaction index: Chemkin #219; RMG #9435 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 S(1368)+C8H14(154)=S(1507)+C8H13(441) 1.728e+15 -0.750 0.000 ! Reaction index: Chemkin #220; RMG #28688 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/Cs3) C8H14(443)+S(1368)=S(1507)+C8H13(441) 5.420e-04 4.340 4.900 ! Reaction index: Chemkin #221; RMG #28689 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/NonDeC;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H14(443)+S(1368)=S(1507)+C8H13(739) 1.416e-03 4.340 7.200 ! Reaction index: Chemkin #222; RMG #28690 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H14(443)+S(1368)=S(1507)+C8H13(740) 1.402e-03 4.340 1.900 ! Reaction index: Chemkin #223; RMG #28691 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H14(443)+S(1368)=S(1507)+C8H13(742) 1.402e-03 4.340 1.900 ! Reaction index: Chemkin #224; RMG #28693 ! Template reaction: H_Abstraction ! Estimated using template (C/H/Cs3;C_rad/H2/Cs) for rate rule (C/H/Cs3_5ring;C_rad/H2/Cs) S(1507)+C8H13(741)=C8H14(443)+S(1368) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #225; RMG #28694 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 3 C8H14(443)+S(1368)=S(1507)+C8H13(744) 1.014e-03 4.340 3.700 ! Reaction index: Chemkin #226; RMG #28126 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds;SsJ) for rate rule (Cds-CsCs_Cds-CsH;SsJ-Cs) C8H14(443)+C4H9SJ(15)=S(2919) 2.480e+02 2.914 -0.332 ! Reaction index: Chemkin #227; RMG #28137 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds;SsJ) for rate rule (Cds-CsCs_Cds-CsH;SsJ-H) C8H14(443)+HSJ(16)=S(2927) 2.480e+02 2.914 -0.332 ! Reaction index: Chemkin #228; RMG #30461 ! Template reaction: 1,3_Insertion_RSR ! Estimated using template (Cd/unsub_Cd/disub;H_SCs) for rate rule (Cd/H2_Cd/Cs2;H_SCs) ! Multiplied by reaction path degeneracy 4 C4H8(3)+S(2927)=S(2919) 2.597e+01 3.200 40.150 ! Reaction index: Chemkin #229; RMG #28138 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds;SsJ) for rate rule (Cds-CsH_Cds-CsCs;SsJ-H) C8H14(443)+HSJ(16)=S(2928) 2.480e+02 2.914 -0.332 ! Reaction index: Chemkin #230; RMG #31567 ! Template reaction: intra_substitutionS_isomerization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR3J_S;CsJ-3-CsCsH;S-HC) ! Multiplied by reaction path degeneracy 2 S(2927)=S(2928) 6.156e+11 0.160 26.900 ! Reaction index: Chemkin #231; RMG #28127 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds;SsJ) for rate rule (Cds-CsH_Cds-CsCs;SsJ-Cs) C8H14(443)+C4H9SJ(15)=S(2920) 2.480e+02 2.914 -0.332 ! Reaction index: Chemkin #232; RMG #30448 ! Template reaction: intra_substitutionS_isomerization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR3J_S;CsJ-3-CsCsH;S-Cs(CsCsCs)C) ! Multiplied by reaction path degeneracy 2 S(2919)=S(2920) 6.156e+11 0.160 26.900 ! Reaction index: Chemkin #233; RMG #32749 ! Template reaction: 1,3_Insertion_RSR ! Estimated using template (Cd/unsub_Cd/disub;H_SCs) for rate rule (Cd/H2_Cd/Cs2;H_SCs) ! Multiplied by reaction path degeneracy 4 S(2928)+C4H8(3)=S(2920) 2.597e+01 3.200 40.150 ! Reaction index: Chemkin #234; RMG #9 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H2/Cs;S_Srad) C8H17S(23)+HS2(25)=DTBS(1)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #235; RMG #10 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H2/Cs) HS2(25)+C8H17S(23)=DTBS(1)+S2JJ(13) 1.606e+04 2.560 9.309 ! Reaction index: Chemkin #236; RMG #18 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;S_pri_rad) HS2(25)+HSJ(16)=H2S(2)+S2JJ(13) 1.606e+04 2.560 9.428 ! Reaction index: Chemkin #237; RMG #29 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H2/Cd;S_Srad) C4H7(33)+HS2(25)=C4H8(3)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #238; RMG #35 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H2/Cd\Cs_Cd\H2) HS2(25)+C4H7(33)=C4H8(3)+S2JJ(13) 1.606e+04 2.560 9.451 ! Reaction index: Chemkin #239; RMG #78 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H2/Cs;S_Srad) C4H9S(14)+HS2(25)=C4H9SH(4)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #240; RMG #79 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H2/Cs) HS2(25)+C4H9S(14)=C4H9SH(4)+S2JJ(13) 1.606e+04 2.560 9.309 ! Reaction index: Chemkin #241; RMG #80 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;S_rad/NonDeC) HS2(25)+C4H9SJ(15)=C4H9SH(4)+S2JJ(13) 1.606e+04 2.560 9.455 ! Reaction index: Chemkin #242; RMG #98 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/Cs3) HS2(25)+C4H9(20)=C4H10(5)+S2JJ(13) 1.606e+04 2.560 9.360 ! Reaction index: Chemkin #243; RMG #128 ! Template reaction: Disproportionation ! Estimated using template (Y_2centerbirad;XH_Rrad) for rate rule (S2b;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 36 C4H9(20)+S2JJ(13)=HS2(25)+C4H8(3) 1.242e+14 -0.400 3.819 ! Reaction index: Chemkin #244; RMG #139 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C4H9(20)+HSSH(17)=C4H10(5)+HS2(25) 9.200e+02 3.060 -6.400 ! Reaction index: Chemkin #245; RMG #190 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H17S(23)+HSSH(17)=DTBS(1)+HS2(25) 7.260e+01 3.060 -3.000 ! Reaction index: Chemkin #246; RMG #255 ! Template reaction: H_Abstraction ! Estimated using template (S/H/NonDeS;C_rad/H2/Cd) for rate rule (S/H/NonDeS;C_rad/H2/Cd\Cs_Cd\H2) ! Multiplied by reaction path degeneracy 2 C4H7(33)+HSSH(17)=C4H8(3)+HS2(25) 2.880e+02 3.060 1.400 ! Reaction index: Chemkin #247; RMG #403 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H/OneDeC;S_Srad) C8H13(150)+HS2(25)=C8H14(124)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #248; RMG #410 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H/CdCs) HS2(25)+C8H13(150)=C8H14(124)+S2JJ(13) 1.606e+04 2.560 9.480 ! Reaction index: Chemkin #249; RMG #1762 ! Template reaction: Disproportionation ! Estimated using template (Y_2centerbirad;XH_Rrad) for rate rule (S2b;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 32 C8H14(154)+S2JJ(13)=HS2(25)+C8H13(441) 1.104e+14 -0.400 3.819 ! Reaction index: Chemkin #250; RMG #2423 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 C8H13(150)+HSSH(17)=C8H14(124)+HS2(25) 3.520e+02 3.060 1.200 ! Reaction index: Chemkin #251; RMG #3578 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H13(441)+HSSH(17)=C8H14(443)+HS2(25) 9.200e+02 3.060 -6.400 ! Reaction index: Chemkin #252; RMG #5073 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(744)+HSSH(17)=C8H14(443)+HS2(25) 2.880e+02 3.060 1.400 ! Reaction index: Chemkin #253; RMG #6183 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 2 C8H13(739)+HSSH(17)=C8H14(443)+HS2(25) 1.884e+02 3.060 -4.300 ! Reaction index: Chemkin #254; RMG #7283 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H13(741)+HSSH(17)=C8H14(443)+HS2(25) 7.260e+01 3.060 -3.000 ! Reaction index: Chemkin #255; RMG #9245 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 S(1368)+HSSH(17)=S(1507)+HS2(25) 9.200e+02 3.060 -6.400 ! Reaction index: Chemkin #256; RMG #12020 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 C8H13(742)+HSSH(17)=C8H14(443)+HS2(25) 3.520e+02 3.060 1.200 ! Reaction index: Chemkin #257; RMG #12815 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 C8H13(740)+HSSH(17)=C8H14(443)+HS2(25) 3.520e+02 3.060 1.200 ! Reaction index: Chemkin #258; RMG #28091 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H/NonDeC;S_Srad) C8H13(739)+HS2(25)=C8H14(443)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #259; RMG #28092 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H/OneDeC;S_Srad) C8H13(740)+HS2(25)=C8H14(443)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #260; RMG #28093 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H/OneDeC;S_Srad) C8H13(742)+HS2(25)=C8H14(443)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #261; RMG #28094 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H2/Cs;S_Srad) C8H13(741)+HS2(25)=C8H14(443)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #262; RMG #28095 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H2/Cd;S_Srad) C8H13(744)+HS2(25)=C8H14(443)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #263; RMG #28100 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/Cs3) HS2(25)+C8H13(441)=C8H14(443)+S2JJ(13) 1.606e+04 2.560 9.360 ! Reaction index: Chemkin #264; RMG #28101 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H/NonDeC) HS2(25)+C8H13(739)=C8H14(443)+S2JJ(13) 1.606e+04 2.560 9.338 ! Reaction index: Chemkin #265; RMG #28102 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H/CdCs) HS2(25)+C8H13(740)=C8H14(443)+S2JJ(13) 1.606e+04 2.560 9.486 ! Reaction index: Chemkin #266; RMG #28103 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H/CdCs) HS2(25)+C8H13(742)=C8H14(443)+S2JJ(13) 1.606e+04 2.560 9.486 ! Reaction index: Chemkin #267; RMG #28105 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H2/Cs) HS2(25)+C8H13(741)=C8H14(443)+S2JJ(13) 1.606e+04 2.560 9.309 ! Reaction index: Chemkin #268; RMG #28106 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H2/Cd) HS2(25)+C8H13(744)=C8H14(443)+S2JJ(13) 1.606e+04 2.560 9.451 ! Reaction index: Chemkin #269; RMG #29664 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/Cs3) HS2(25)+S(1368)=S(1507)+S2JJ(13) 1.606e+04 2.560 9.360 ! Reaction index: Chemkin #270; RMG #35047 ! Template reaction: Disproportionation ! Estimated using template (Y_2centerbirad;XH_Rrad) for rate rule (S2b;S_Srad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from 68.5 to 68.5 kJ/mol to match endothermicity of reaction. S2JJ(13)+HS2(25)=HS2(25)+S2(12) 1.380e+13 -0.400 16.383 ! Reaction index: Chemkin #271; RMG #35051 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_rad/NonDeC;S_Srad) HS2(25)+C4H9SJ(15)=C4H9SH(4)+S2(12) 8.129e+07 1.043 -1.400 ! Reaction index: Chemkin #272; RMG #35054 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_pri_rad;S_Srad) HS2(25)+HSJ(16)=H2S(2)+S2(12) 8.129e+07 1.043 -1.400 ! Reaction index: Chemkin #273; RMG #35057 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;S_pri_rad) ! Multiplied by reaction path degeneracy 2 HSSH(17)+HSJ(16)=HS2(25)+H2S(2) 2.880e+03 3.150 -2.400 ! Reaction index: Chemkin #274; RMG #35062 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 HSSH(17)+C4H9S(14)=HS2(25)+C4H9SH(4) 7.260e+01 3.060 -3.000 ! Reaction index: Chemkin #275; RMG #35063 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;S_rad/NonDeC) ! Multiplied by reaction path degeneracy 2 HSSH(17)+C4H9SJ(15)=HS2(25)+C4H9SH(4) 1.234e+03 3.150 -2.300 ! Reaction index: Chemkin #276; RMG #35065 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cmethyl_Rrad) for rate rule (S_rad/NonDeS;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 HS2(25)+C4H9(20)=HSSH(17)+C4H8(3) 8.811e+12 0.000 0.000 ! Reaction index: Chemkin #277; RMG #35066 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/Cs3;S_Srad) HS2(25)+C4H9(20)=C4H10(5)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #278; RMG #35138 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeS;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 HS2(25)+C8H14(154)=HSSH(17)+C8H13(441) 5.752e+00 3.130 -3.650 ! Reaction index: Chemkin #279; RMG #35198 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/Cs3;S_Srad) HS2(25)+C8H13(441)=C8H14(443)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #280; RMG #35360 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/Cs3;S_Srad) HS2(25)+S(1368)=S(1507)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #281; RMG #35770 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_rad/NonDeS;S_Srad) ! Ea raised from -5.9 to 0.6 kJ/mol to match endothermicity of reaction. HS2(25)+HS2(25)=HSSH(17)+S2(12) 8.129e+07 1.043 0.151 ! Reaction index: Chemkin #282; RMG #35771 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;S_rad/NonDeS) HS2(25)+HS2(25)=HSSH(17)+S2JJ(13) 1.606e+04 2.560 9.607 ! Reaction index: Chemkin #283; RMG #222 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdHH) ! Multiplied by reaction path degeneracy 2 C4H7(33)+S2(12)=C4H7S2(90) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #284; RMG #229 ! Template reaction: R_Recombination ! Estimated using template (C_pri_rad;SJ) for rate rule (C_rad/H2/Cd;SJ) ! Multiplied by reaction path degeneracy 2 C4H7(33)+S2JJ(13)=C4H7S2(90) 1.788e+08 1.540 -1.320 ! Reaction index: Chemkin #285; RMG #35775 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R5H_SSSS;C_rad_out_2H;S_H_out) S(3384)=C4H7S2(90) 2.210e+10 0.214 2.040 ! Reaction index: Chemkin #286; RMG #20183 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdCsCs) ! Multiplied by reaction path degeneracy 2 S(2082)+S2(12)=S(2392) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #287; RMG #20192 ! Template reaction: R_Recombination ! Estimated using template (C_ter_rad;SJ) for rate rule (C_rad/Cs2;SJ) ! Multiplied by reaction path degeneracy 2 S(2082)+S2JJ(13)=S(2392) 1.187e+09 1.395 -1.030 ! Reaction index: Chemkin #288; RMG #187 ! Template reaction: SubstitutionS ! S-Cs(HHH)Cs(HHH);SsJ-HExact match found for rate rule (S-CsCs;SsJ-H) C8H17S(23)+HSJ(16)=C4H9S2(80)+C4H9(20) 1.770e+03 3.030 12.900 ! Reaction index: Chemkin #289; RMG #35059 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds;SsJ) for rate rule (Cds-CsCs_Cds-HH;SsJ-Ss) ! Ea raised from -1.4 to 14.3 kJ/mol to match endothermicity of reaction. HS2(25)+C4H8(3)=C4H9S2(80) 2.480e+02 2.914 3.421 ! Reaction index: Chemkin #290; RMG #12747 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdCsCs) ! Multiplied by reaction path degeneracy 2 C8H13(740)+S2(12)=S(1840) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #291; RMG #12760 ! Template reaction: R_Recombination ! Estimated using template (C_ter_rad;SJ) for rate rule (C_rad/Cs2;SJ) ! Multiplied by reaction path degeneracy 2 C8H13(740)+S2JJ(13)=S(1840) 1.187e+09 1.395 -1.030 ! Reaction index: Chemkin #292; RMG #2337 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdCsH) ! Multiplied by reaction path degeneracy 2 C8H13(150)+S2(12)=S(530) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #293; RMG #2351 ! Template reaction: R_Recombination ! Estimated using template (Cs_rad;S_rad) for rate rule (C_rad/H/CdCs;SJ) ! Multiplied by reaction path degeneracy 2 C8H13(150)+S2JJ(13)=S(530) 6.316e+08 1.443 -1.127 ! Reaction index: Chemkin #294; RMG #12744 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdCsH) ! Multiplied by reaction path degeneracy 2 C8H13(740)+S2(12)=S(1837) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #295; RMG #12755 ! Template reaction: R_Recombination ! Estimated using template (Cs_rad;S_rad) for rate rule (C_rad/H/CdCs;SJ) ! Multiplied by reaction path degeneracy 2 C8H13(740)+S2JJ(13)=S(1837) 6.316e+08 1.443 -1.127 ! Reaction index: Chemkin #296; RMG #39093 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R5_SS_D;doublebond_intra_NdNd_pri;radadd_intra) S(2392)=S(4420) 2.004e+10 0.180 19.934 DUPLICATE ! Reaction index: Chemkin #297; RMG #39112 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R8;doublebond_intra_secNd;radadd_intra_S) S(2392)=S(4420) 1.000e+09 0.190 20.000 DUPLICATE ! Reaction index: Chemkin #298; RMG #39094 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R8;doublebond_intra;radadd_intra) S(2392)=S(4421) 2.004e+10 0.180 19.934 DUPLICATE ! Reaction index: Chemkin #299; RMG #39111 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R5_SS_D;doublebond_intra_pri_NdNd;radadd_intra_S) S(2392)=S(4421) 1.000e+09 0.190 20.000 DUPLICATE ! Reaction index: Chemkin #300; RMG #46814 ! Template reaction: intra_substitutionS_isomerization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR3J_S;CsJ-3-CsCsH;S-Ss(Cs)C) ! Multiplied by reaction path degeneracy 4 S(4421)=S(4420) 1.231e+12 0.160 26.900 ! Reaction index: Chemkin #301; RMG #43078 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R5H_SSSS;C_rad_out_2H;S_H_out) S(4766)=S(530) 2.210e+10 0.214 2.040 ! Reaction index: Chemkin #302; RMG #11975 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdCsH) ! Multiplied by reaction path degeneracy 2 C8H13(742)+S2(12)=S(1779) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #303; RMG #11985 ! Template reaction: R_Recombination ! Estimated using template (Cs_rad;S_rad) for rate rule (C_rad/H/CdCs;SJ) ! Multiplied by reaction path degeneracy 2 C8H13(742)+S2JJ(13)=S(1779) 6.316e+08 1.443 -1.127 ! Reaction index: Chemkin #304; RMG #51036 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R5H_SSSS;C_rad_out_2H;S_H_out) S(5085)=S(1779) 2.210e+10 0.214 2.040 ! Reaction index: Chemkin #305; RMG #4984 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdCsH) ! Multiplied by reaction path degeneracy 2 C8H13(744)+S2(12)=S(978) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #306; RMG #5004 ! Template reaction: R_Recombination ! Estimated using template (Cs_rad;S_rad) for rate rule (C_rad/H/CdCs;SJ) ! Multiplied by reaction path degeneracy 2 C8H13(744)+S2JJ(13)=S(978) 6.316e+08 1.443 -1.127 ! Reaction index: Chemkin #307; RMG #52822 ! Template reaction: intra_H_migration ! Estimated using template (R5Hall;C_rad_out_single;S_H_out) for rate rule (R5H_SSSS;C_rad_out_H/NonDeC;S_H_out) ! Multiplied by reaction path degeneracy 2 S(5085)=S(978) 4.420e+10 0.214 2.040 ! Reaction index: Chemkin #308; RMG #41497 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R8;doublebond_intra;radadd_intra) S(1840)=S(4688) 2.004e+10 0.180 19.934 DUPLICATE ! Reaction index: Chemkin #309; RMG #41516 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R5_SS_D;doublebond_intra_pri_HNd;radadd_intra_S) S(1840)=S(4688) 1.000e+09 0.190 20.000 DUPLICATE ! Reaction index: Chemkin #310; RMG #45155 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R8;doublebond_intra;radadd_intra) S(1837)=S(4688) 2.004e+10 0.180 19.934 DUPLICATE ! Reaction index: Chemkin #311; RMG #45175 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R5_SS_D;doublebond_intra_pri_NdNd;radadd_intra_S) S(1837)=S(4688) 1.000e+09 0.190 20.000 DUPLICATE ! Reaction index: Chemkin #312; RMG #15847 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdCsH) ! Multiplied by reaction path degeneracy 2 S(1549)+S2(12)=S(2086) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #313; RMG #15859 ! Template reaction: R_Recombination ! Estimated using template (Cs_rad;S_rad) for rate rule (C_rad/H/CdCs;SJ) ! Multiplied by reaction path degeneracy 2 S(1549)+S2JJ(13)=S(2086) 6.316e+08 1.443 -1.127 ! Reaction index: Chemkin #314; RMG #2331 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdHH) ! Multiplied by reaction path degeneracy 2 C8H13(150)+S2(12)=S(525) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #315; RMG #2347 ! Template reaction: R_Recombination ! Estimated using template (C_pri_rad;SJ) for rate rule (C_rad/H2/Cd;SJ) ! Multiplied by reaction path degeneracy 2 C8H13(150)+S2JJ(13)=S(525) 1.788e+08 1.540 -1.320 ! Reaction index: Chemkin #316; RMG #48784 ! Template reaction: intra_substitutionS_isomerization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR4J_SS;CsJ-CdHH;S-Ss(H)C) S(4766)=S(4998) 3.078e+11 0.160 26.900 ! Reaction index: Chemkin #317; RMG #60369 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R5H_SSSS;C_rad_out_2H;S_H_out) S(4998)=S(525) 2.210e+10 0.214 2.040 ! Reaction index: Chemkin #318; RMG #58505 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R5H_SSSS;C_rad_out_2H;S_H_out) S(5358)=S(2086) 2.210e+10 0.214 2.040 ! Reaction index: Chemkin #319; RMG #66311 ! Template reaction: intra_H_migration ! Estimated using template (R5Hall;C_rad_out_single;S_H_out) for rate rule (R5H_SSSS;C_rad_out_H/NonDeC;S_H_out) ! Multiplied by reaction path degeneracy 2 S(5358)=S(5657) 4.420e+10 0.214 2.040 ! Reaction index: Chemkin #320; RMG #62880 ! Template reaction: intra_H_migration ! Estimated using template (R5Hall;C_rad_out_single;S_H_out) for rate rule (R5H_SSSS;C_rad_out_H/NonDeC;S_H_out) S(4998)=S(5528) 2.210e+10 0.214 2.040 ! Reaction index: Chemkin #321; RMG #60360 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R8;doublebond_intra_2H_secNd;radadd_intra) S(525)=S(5416) 2.004e+10 0.180 19.934 ! Reaction index: Chemkin #322; RMG #15850 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdCsH) ! Multiplied by reaction path degeneracy 2 S(1549)+S2(12)=S(2089) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #323; RMG #15863 ! Template reaction: R_Recombination ! Estimated using template (Cs_rad;S_rad) for rate rule (C_rad/H/CdCs;SJ) ! Multiplied by reaction path degeneracy 2 S(1549)+S2JJ(13)=S(2089) 6.316e+08 1.443 -1.127 ! Reaction index: Chemkin #324; RMG #51018 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R5_SS_D;doublebond_intra_HNd_secNd;radadd_intra) S(1779)=S(5073) 2.004e+10 0.180 19.934 DUPLICATE ! Reaction index: Chemkin #325; RMG #51040 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R8;doublebond_intra_pri;radadd_intra_S) S(1779)=S(5073) 1.000e+09 0.190 20.000 DUPLICATE ! Reaction index: Chemkin #326; RMG #66315 ! Template reaction: intra_substitutionS_isomerization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR4J_SS;CsJ-CdCsH;S-Ss(H)C) ! Multiplied by reaction path degeneracy 2 S(5660)=S(5358) 6.156e+11 0.160 26.900 ! Reaction index: Chemkin #327; RMG #76034 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R5H_SSSS;C_rad_out_2H;S_H_out) S(5660)=S(2089) 2.210e+10 0.214 2.040 ! Reaction index: Chemkin #328; RMG #79642 ! Template reaction: intra_H_migration ! Estimated using template (R5Hall;C_rad_out_single;S_H_out) for rate rule (R5H_SSSS;C_rad_out_H/NonDeC;S_H_out) ! Multiplied by reaction path degeneracy 2 S(5660)=S(6088) 4.420e+10 0.214 2.040 ! Reaction index: Chemkin #329; RMG #58488 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R8;doublebond_intra;radadd_intra) S(2086)=S(5345) 2.004e+10 0.180 19.934 DUPLICATE ! Reaction index: Chemkin #330; RMG #58507 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R5_SS_D;doublebond_intra_secNd_HNd;radadd_intra_S) S(2086)=S(5345) 1.000e+09 0.190 20.000 DUPLICATE ! Reaction index: Chemkin #331; RMG #76017 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R8;doublebond_intra;radadd_intra) S(2089)=S(5345) 2.004e+10 0.180 19.934 DUPLICATE ! Reaction index: Chemkin #332; RMG #76037 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R5_SS_D;doublebond_intra_secNd_HNd;radadd_intra_S) S(2089)=S(5345) 1.000e+09 0.190 20.000 DUPLICATE ! Reaction index: Chemkin #333; RMG #51019 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R8;doublebond_intra;radadd_intra) S(1779)=S(5074) 2.004e+10 0.180 19.934 DUPLICATE ! Reaction index: Chemkin #334; RMG #51039 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R5_SS_D;doublebond_intra_secNd_HNd;radadd_intra_S) S(1779)=S(5074) 1.000e+09 0.190 20.000 DUPLICATE ! Reaction index: Chemkin #335; RMG #78170 ! Template reaction: intra_substitutionS_isomerization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR3J_S;CsJ-3-CsCsH;S-Ss(Cs)C) ! Multiplied by reaction path degeneracy 2 S(5073)=S(5074) 6.156e+11 0.160 26.900 ! Reaction index: Chemkin #336; RMG #45154 ! Template reaction: Intra_R_Add_Exocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R5_SS_D;doublebond_intra_NdNd_pri;radadd_intra) S(1837)=S(4842) 2.004e+10 0.180 19.934 DUPLICATE ! Reaction index: Chemkin #337; RMG #45176 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R8;doublebond_intra_secNd;radadd_intra_S) S(1837)=S(4842) 1.000e+09 0.190 20.000 DUPLICATE ! Reaction index: Chemkin #338; RMG #57296 ! Template reaction: intra_substitutionS_isomerization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR3J_S;CsJ-3-CsCsH;S-Ss(Cs)C) ! Multiplied by reaction path degeneracy 2 S(4688)=S(4842) 6.156e+11 0.160 26.900 ! Reaction index: Chemkin #339; RMG #14522 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdCsCs) ! Multiplied by reaction path degeneracy 2 S(1551)+S2(12)=S(1983) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #340; RMG #14535 ! Template reaction: R_Recombination ! Estimated using template (C_ter_rad;SJ) for rate rule (C_rad/Cs2;SJ) ! Multiplied by reaction path degeneracy 2 S(1551)+S2JJ(13)=S(1983) 1.187e+09 1.395 -1.030 ! Reaction index: Chemkin #341; RMG #35774 ! Template reaction: intra_H_migration ! Estimated using template (R3Hall;C_rad_out_single;S_H_out) for rate rule (R3H_SS_S;C_rad_out_H/OneDe;S_H_out) S(3383)=C4H7S2(90) 2.649e-01 3.800 13.835 ! Reaction index: Chemkin #342; RMG #37428 ! Template reaction: intra_H_migration ! Estimated using template (R3H_SS;C_rad_out_single;Cs_H_out_1H) for rate rule (R3H_SS_2Cd;C_rad_out_2H;Cs_H_out_H/NonDeS) ! Multiplied by reaction path degeneracy 2 S(3384)=S(3383) 3.520e+09 0.760 34.700 ! Reaction index: Chemkin #343; RMG #91917 ! Template reaction: intra_H_migration ! Estimated using template (R5H;C_rad_out_2H;S_H_out) for rate rule (R5H_SMSS;C_rad_out_2H;S_H_out) S(3383)=S(6410) 2.210e+10 0.214 2.040 ! Reaction index: Chemkin #344; RMG #91901 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_Cd;SsJ) for rate rule (Sd_Cds-CdH;SsJ-H) S(6398)+HSJ(16)=S(3383) 3.331e+02 2.967 -2.633 ! Reaction index: Chemkin #345; RMG #92083 ! Template reaction: SubstitutionS ! Estimated using template (S-CC;SsJ) for rate rule (S-CdCs;SsJ-H) S(6452)+HSJ(16)=S(3383)+C4H7(33) 1.079e+01 3.573 16.833 ! Reaction index: Chemkin #346; RMG #97450 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_Cd;CsJ) for rate rule (Sd_Cds-CdH;CsJ-CdHH) S(6398)+C4H7(33)=S(6452) 6.463e+02 2.978 -0.089 ! Reaction index: Chemkin #347; RMG #15921 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 S(1549)+HSSH(17)=S(2099)+HS2(25) 3.520e+02 3.060 1.200 ! Reaction index: Chemkin #348; RMG #15929 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 S(2099)+C8H17S(23)=S(1549)+DTBS(1) 1.806e-03 4.340 3.500 ! Reaction index: Chemkin #349; RMG #15933 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 S(1549)+H2S(2)=S(2099)+HSJ(16) 2.320e+02 3.060 7.400 ! Reaction index: Chemkin #350; RMG #15961 ! Template reaction: H_Abstraction ! Estimated using template (C/H2/CdCs;C_rad/H2/Cd) for rate rule (C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2) ! Multiplied by reaction path degeneracy 2 S(2099)+C4H7(33)=S(1549)+C4H8(3) 9.040e-03 4.340 11.200 ! Reaction index: Chemkin #351; RMG #15974 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 S(2099)+C4H9S(14)=S(1549)+C4H9SH(4) 1.806e-03 4.340 3.500 ! Reaction index: Chemkin #352; RMG #15975 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H/CdCs) S(1549)+C4H9SH(4)=S(2099)+C4H9SJ(15) 1.930e+02 3.060 5.700 ! Reaction index: Chemkin #353; RMG #15983 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 S(2099)+C4H9(20)=S(1549)+C4H10(5) 1.402e-03 4.340 1.900 ! Reaction index: Chemkin #354; RMG #15996 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 S(1549)+C4H9(20)=S(2099)+C4H8(3) 2.923e+13 -0.350 0.000 ! Reaction index: Chemkin #355; RMG #16109 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 S(2099)+C8H13(150)=S(1549)+C8H14(124) 4.580e-03 4.340 11.700 ! Reaction index: Chemkin #356; RMG #16317 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 S(1549)+C8H14(154)=S(2099)+C8H13(441) 6.104e+12 0.000 -0.550 ! Reaction index: Chemkin #357; RMG #17292 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 S(2083)+HSSH(17)=S(2099)+HS2(25) 7.260e+01 3.060 -3.000 ! Reaction index: Chemkin #358; RMG #17300 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 18 S(2083)+DTBS(1)=S(2099)+C8H17S(23) 1.656e-02 4.340 9.200 ! Reaction index: Chemkin #359; RMG #17302 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 S(2083)+H2S(2)=S(2099)+HSJ(16) 3.340e+01 3.060 -0.400 ! Reaction index: Chemkin #360; RMG #17320 ! Template reaction: H_Abstraction ! Estimated using template (C/H3/Cd;C_rad/H2/Cs) for rate rule (C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 6 S(2083)+C4H8(3)=S(2099)+C4H7(33) 1.740e-03 4.340 5.000 ! Reaction index: Chemkin #361; RMG #17330 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 9 S(2083)+C4H9SH(4)=S(2099)+C4H9S(14) 8.280e-03 4.340 9.200 ! Reaction index: Chemkin #362; RMG #17331 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H2/Cs) S(2083)+C4H9SH(4)=S(2099)+C4H9SJ(15) 2.080e+01 3.060 -0.700 ! Reaction index: Chemkin #363; RMG #17340 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H2/Cs) S(2083)+C4H10(5)=S(2099)+C4H9(20) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #364; RMG #17342 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 S(2083)+C4H9(20)=S(2099)+C4H8(3) 2.070e+14 -0.350 0.000 ! Reaction index: Chemkin #365; RMG #17428 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 4 S(2083)+C8H14(124)=S(2099)+C8H13(150) 3.612e-03 4.340 3.500 ! Reaction index: Chemkin #366; RMG #17568 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 S(2083)+C8H14(154)=S(2099)+C8H13(441) 1.160e+13 0.000 0.000 ! Reaction index: Chemkin #367; RMG #20224 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/CdCs2) ! Multiplied by reaction path degeneracy 2 S(2082)+HSSH(17)=S(2099)+HS2(25) 7.800e+01 3.060 0.200 ! Reaction index: Chemkin #368; RMG #20229 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/H2/Cs) S(2099)+C8H17S(23)=S(2082)+DTBS(1) 5.520e-04 4.340 2.200 ! Reaction index: Chemkin #369; RMG #20231 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/CdCs2) ! Multiplied by reaction path degeneracy 2 S(2082)+H2S(2)=S(2099)+HSJ(16) 4.020e+01 3.060 6.903 ! Reaction index: Chemkin #370; RMG #20245 ! Template reaction: H_Abstraction ! Estimated using template (C/H/Cs2Cd;C_rad/H2/Cd) for rate rule (C/H/Cs2Cd;C_rad/H2/Cd\Cs_Cd\H2) S(2099)+C4H7(33)=S(2082)+C4H8(3) 2.780e-03 4.340 8.900 ! Reaction index: Chemkin #371; RMG #20255 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/H2/Cs) S(2099)+C4H9S(14)=S(2082)+C4H9SH(4) 5.520e-04 4.340 2.200 ! Reaction index: Chemkin #372; RMG #20256 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/CdCs2) S(2082)+C4H9SH(4)=S(2099)+C4H9SJ(15) 3.100e+01 3.060 5.100 ! Reaction index: Chemkin #373; RMG #20261 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/Cs3) S(2099)+C4H9(20)=S(2082)+C4H10(5) 2.860e-04 4.340 0.200 ! Reaction index: Chemkin #374; RMG #20263 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/Cs2;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 S(2082)+C4H9(20)=S(2099)+C4H8(3) 1.046e+13 0.029 1.299 ! Reaction index: Chemkin #375; RMG #20337 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/H/CdCs) S(2099)+C8H13(150)=S(2082)+C8H14(124) 1.150e-03 4.340 9.300 ! Reaction index: Chemkin #376; RMG #20457 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs2;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 S(2082)+C8H14(154)=S(2099)+C8H13(441) 1.728e+15 -0.750 0.000 ! Reaction index: Chemkin #377; RMG #28891 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 S(2099)+C8H13(441)=C8H14(443)+S(1549) 1.402e-03 4.340 1.900 ! Reaction index: Chemkin #378; RMG #28892 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 2 S(2099)+C8H13(739)=C8H14(443)+S(1549) 1.706e-03 4.340 3.100 ! Reaction index: Chemkin #379; RMG #28893 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 S(2099)+C8H13(740)=C8H14(443)+S(1549) 4.580e-03 4.340 11.700 ! Reaction index: Chemkin #380; RMG #28894 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 S(2099)+C8H13(742)=C8H14(443)+S(1549) 4.580e-03 4.340 11.700 ! Reaction index: Chemkin #381; RMG #28896 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 S(2099)+C8H13(741)=C8H14(443)+S(1549) 1.806e-03 4.340 3.500 ! Reaction index: Chemkin #382; RMG #28897 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 S(2099)+C8H13(744)=C8H14(443)+S(1549) 9.040e-03 4.340 11.200 ! Reaction index: Chemkin #383; RMG #28916 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H2/Cs) C8H14(443)+S(2083)=S(2099)+C8H13(441) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #384; RMG #28917 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/NonDeC;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+S(2083)=S(2099)+C8H13(739) 1.840e-03 4.340 7.000 ! Reaction index: Chemkin #385; RMG #28918 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+S(2083)=S(2099)+C8H13(740) 1.806e-03 4.340 3.500 ! Reaction index: Chemkin #386; RMG #28919 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(443)+S(2083)=S(2099)+C8H13(742) 1.806e-03 4.340 3.500 ! Reaction index: Chemkin #387; RMG #28921 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 3 S(2099)+C8H13(741)=C8H14(443)+S(2083) 2.760e-03 4.340 9.200 ! Reaction index: Chemkin #388; RMG #28922 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 3 C8H14(443)+S(2083)=S(2099)+C8H13(744) 8.700e-04 4.340 5.000 ! Reaction index: Chemkin #389; RMG #28983 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/Cs3) S(2099)+C8H13(441)=C8H14(443)+S(2082) 2.860e-04 4.340 0.200 ! Reaction index: Chemkin #390; RMG #28984 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/H/NonDeC) S(2099)+C8H13(739)=C8H14(443)+S(2082) 4.260e-04 4.340 1.600 ! Reaction index: Chemkin #391; RMG #28985 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/H/CdCs) S(2099)+C8H13(740)=C8H14(443)+S(2082) 1.150e-03 4.340 9.300 ! Reaction index: Chemkin #392; RMG #28986 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/H/CdCs) S(2099)+C8H13(742)=C8H14(443)+S(2082) 1.150e-03 4.340 9.300 ! Reaction index: Chemkin #393; RMG #28988 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/H2/Cs) S(2099)+C8H13(741)=C8H14(443)+S(2082) 5.520e-04 4.340 2.200 ! Reaction index: Chemkin #394; RMG #28989 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/H2/Cd) S(2099)+C8H13(744)=C8H14(443)+S(2082) 2.780e-03 4.340 8.900 ! Reaction index: Chemkin #395; RMG #30263 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 S(2099)+S(1368)=S(1507)+S(1549) 1.402e-03 4.340 1.900 ! Reaction index: Chemkin #396; RMG #30281 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 3 S(2099)+S(1368)=S(1507)+S(2083) 3.180e-03 4.340 9.700 ! Reaction index: Chemkin #397; RMG #30325 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/Cs3) S(2099)+S(1368)=S(1507)+S(2082) 2.860e-04 4.340 0.200 ! Reaction index: Chemkin #398; RMG #35499 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H/OneDeC;S_Srad) HS2(25)+S(1549)=S(2099)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #399; RMG #35502 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H/CdCs) HS2(25)+S(1549)=S(2099)+S2JJ(13) 1.606e+04 2.560 9.488 ! Reaction index: Chemkin #400; RMG #35507 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H2/Cs;S_Srad) HS2(25)+S(2083)=S(2099)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #401; RMG #35512 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H2/Cs) HS2(25)+S(2083)=S(2099)+S2JJ(13) 1.606e+04 2.560 9.309 ! Reaction index: Chemkin #402; RMG #35559 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/Cs2;S_Srad) HS2(25)+S(2082)=S(2099)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #403; RMG #35564 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/CdCs2) HS2(25)+S(2082)=S(2099)+S2JJ(13) 1.606e+04 2.560 9.503 ! Reaction index: Chemkin #404; RMG #104861 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/H/CdCs) S(2099)+S(1549)=S(2099)+S(2082) 1.150e-03 4.340 9.300 ! Reaction index: Chemkin #405; RMG #104865 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 S(2099)+S(2083)=S(2099)+S(1549) 1.806e-03 4.340 3.500 ! Reaction index: Chemkin #406; RMG #104885 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/H2/Cs) S(2099)+S(2083)=S(2099)+S(2082) 5.520e-04 4.340 2.200 ! Reaction index: Chemkin #407; RMG #271 ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-HH_Cds-CsCs;CsJ-CdHH) C4H7(33)+C4H8(3)=C8H15(104) 2.790e+04 2.410 11.220 ! Reaction index: Chemkin #408; RMG #440 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H17S(23)+C8H15(104)=C8H14(124)+DTBS(1) 1.380e+14 -0.350 0.000 ! Reaction index: Chemkin #409; RMG #451 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H7(33)+C8H15(104)=C8H14(124)+C4H8(3) 1.374e+14 -0.350 -0.130 ! Reaction index: Chemkin #410; RMG #460 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H9S(14)+C8H15(104)=C8H14(124)+C4H9SH(4) 1.380e+14 -0.350 0.000 ! Reaction index: Chemkin #411; RMG #512 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(150)+C8H15(104)=C8H14(124)+C8H14(124) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #412; RMG #28225 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H/NonDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(739)+C8H15(104)=C8H14(443)+C8H14(124) 1.266e+15 -0.700 0.000 ! Reaction index: Chemkin #413; RMG #28227 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(740)+C8H15(104)=C8H14(443)+C8H14(124) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #414; RMG #28229 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(742)+C8H15(104)=C8H14(443)+C8H14(124) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #415; RMG #28231 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(741)+C8H15(104)=C8H14(443)+C8H14(124) 1.380e+14 -0.350 0.000 ! Reaction index: Chemkin #416; RMG #28233 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(744)+C8H15(104)=C8H14(443)+C8H14(124) 1.374e+14 -0.350 -0.130 ! Reaction index: Chemkin #417; RMG #35087 ! Template reaction: Disproportionation ! Estimated using template (Y_2centerbirad;XH_Rrad) for rate rule (S2b;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 24 S2JJ(13)+C8H15(104)=HS2(25)+C8H14(124) 8.282e+13 -0.400 3.819 ! Reaction index: Chemkin #418; RMG #104193 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(1549)+C8H15(104)=S(2099)+C8H14(124) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #419; RMG #104195 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(2083)+C8H15(104)=S(2099)+C8H14(124) 1.380e+14 -0.350 0.000 ! Reaction index: Chemkin #420; RMG #106228 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cmethyl_Rrad) for rate rule (S_rad/NonDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H15(104)+C4H9SJ(15)=C4H9SH(4)+C8H14(124) 5.874e+12 0.000 0.000 ! Reaction index: Chemkin #421; RMG #106239 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_pri_rad;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H15(104)+HSJ(16)=H2S(2)+C8H14(124) 4.877e+08 1.043 -1.400 ! Reaction index: Chemkin #422; RMG #106301 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H15(104)+C4H9(20)=C4H10(5)+C8H14(124) 1.716e+16 -1.100 0.000 ! Reaction index: Chemkin #423; RMG #106650 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H15(104)+C8H13(441)=C8H14(443)+C8H14(124) 1.716e+16 -1.100 0.000 ! Reaction index: Chemkin #424; RMG #106910 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H15(104)+S(1368)=S(1507)+C8H14(124) 1.716e+16 -1.100 0.000 ! Reaction index: Chemkin #425; RMG #107251 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/Cs2;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H15(104)+S(2082)=S(2099)+C8H14(124) 6.970e+12 0.029 1.299 ! Reaction index: Chemkin #426; RMG #107591 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cmethyl_Rrad) for rate rule (S_rad/NonDeS;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H15(104)+HS2(25)=HSSH(17)+C8H14(124) 5.874e+12 0.000 0.000 ! Reaction index: Chemkin #427; RMG #106247 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H15(104)+HSSH(17)=S(8546)+HS2(25) 9.200e+02 3.060 -6.400 ! Reaction index: Chemkin #428; RMG #106255 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H2/Cs) S(8546)+C8H17S(23)=C8H15(104)+DTBS(1) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #429; RMG #106257 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H15(104)+H2S(2)=S(8546)+HSJ(16) 2.580e+02 3.060 -3.100 ! Reaction index: Chemkin #430; RMG #106277 ! Template reaction: H_Abstraction ! Estimated using template (C/H3/Cd;C_rad/Cs3) for rate rule (C/H3/Cd\Cs_Cd\H2;C_rad/Cs3) ! Multiplied by reaction path degeneracy 6 C8H15(104)+C4H8(3)=S(8546)+C4H7(33) 2.028e-03 4.340 3.700 ! Reaction index: Chemkin #431; RMG #106287 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H2/Cs) S(8546)+C4H9S(14)=C8H15(104)+C4H9SH(4) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #432; RMG #106288 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/Cs3) C8H15(104)+C4H9SH(4)=S(8546)+C4H9SJ(15) 1.380e+02 3.060 -3.200 ! Reaction index: Chemkin #433; RMG #106297 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/Cs3) S(8546)+C4H9(20)=C8H15(104)+C4H10(5) 5.420e-04 4.340 4.900 ! Reaction index: Chemkin #434; RMG #106299 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C8H15(104)+C4H9(20)=S(8546)+C4H8(3) 2.574e+16 -1.100 0.000 ! Reaction index: Chemkin #435; RMG #106383 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 4 C8H15(104)+C8H14(124)=S(8546)+C8H13(150) 2.804e-03 4.340 1.900 ! Reaction index: Chemkin #436; RMG #106524 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H15(104)+C8H14(154)=S(8546)+C8H13(441) 1.728e+15 -0.750 0.000 ! Reaction index: Chemkin #437; RMG #107455 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/Cs3) C8H15(104)+C8H14(443)=S(8546)+C8H13(441) 5.420e-04 4.340 4.900 ! Reaction index: Chemkin #438; RMG #107456 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H/NonDeC) S(8546)+C8H13(739)=C8H15(104)+C8H14(443) 8.110e-04 4.340 5.300 ! Reaction index: Chemkin #439; RMG #107457 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H14(443)=S(8546)+C8H13(740) 1.402e-03 4.340 1.900 ! Reaction index: Chemkin #440; RMG #107458 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H14(443)=S(8546)+C8H13(742) 1.402e-03 4.340 1.900 ! Reaction index: Chemkin #441; RMG #107460 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H2/Cs) S(8546)+C8H13(741)=C8H15(104)+C8H14(443) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #442; RMG #107461 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 3 C8H15(104)+C8H14(443)=S(8546)+C8H13(744) 1.014e-03 4.340 3.700 ! Reaction index: Chemkin #443; RMG #107486 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/Cs3) S(8546)+S(1368)=C8H15(104)+S(1507) 5.420e-04 4.340 4.900 ! Reaction index: Chemkin #444; RMG #107589 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/Cs3;S_Srad) C8H15(104)+HS2(25)=S(8546)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #445; RMG #107599 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/Cs3) C8H15(104)+HS2(25)=S(8546)+S2JJ(13) 1.606e+04 2.560 9.360 ! Reaction index: Chemkin #446; RMG #108717 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/Cs3) C8H15(104)+S(2099)=S(8546)+S(2082) 2.860e-04 4.340 0.200 ! Reaction index: Chemkin #447; RMG #108720 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H15(104)+S(2099)=S(8546)+S(1549) 1.402e-03 4.340 1.900 ! Reaction index: Chemkin #448; RMG #108722 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs3;C_rad/H2/Cs) S(8546)+S(2083)=C8H15(104)+S(2099) 1.060e-03 4.340 5.000 ! Reaction index: Chemkin #449; RMG #108725 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H15(104)+C8H15(104)=S(8546)+C8H14(124) 1.716e+16 -1.100 0.000 ! Reaction index: Chemkin #450; RMG #2417 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(150)+HSSH(17)=C8H14(539)+HS2(25) 2.880e+02 3.060 1.400 ! Reaction index: Chemkin #451; RMG #2430 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 6 C8H14(539)+C8H17S(23)=C8H13(150)+DTBS(1) 1.740e-03 4.340 5.000 ! Reaction index: Chemkin #452; RMG #2434 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(150)+H2S(2)=C8H14(539)+HSJ(16) 2.420e+02 3.060 7.400 ! Reaction index: Chemkin #453; RMG #2457 ! Template reaction: H_Abstraction ! Estimated using template (C/H3/Cd;C_rad/H2/Cd) for rate rule (C/H3/Cd\Cs_Cd\H2;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 6 C8H13(150)+C4H8(3)=C8H14(539)+C4H7(33) 8.700e-03 4.340 13.600 ! Reaction index: Chemkin #454; RMG #2486 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 6 C8H14(539)+C4H9S(14)=C8H13(150)+C4H9SH(4) 1.740e-03 4.340 5.000 ! Reaction index: Chemkin #455; RMG #2487 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H2/Cd) C8H13(150)+C4H9SH(4)=C8H14(539)+C4H9SJ(15) 2.170e+02 3.060 5.600 ! Reaction index: Chemkin #456; RMG #2501 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 6 C8H14(539)+C4H9(20)=C8H13(150)+C4H10(5) 2.028e-03 4.340 3.700 ! Reaction index: Chemkin #457; RMG #2505 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C8H13(150)+C4H9(20)=C8H14(539)+C4H8(3) 2.061e+14 -0.350 -0.130 ! Reaction index: Chemkin #458; RMG #2652 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 4 C8H13(150)+C8H14(124)=C8H14(539)+C8H13(150) 1.808e-02 4.340 11.200 ! Reaction index: Chemkin #459; RMG #2907 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H13(150)+C8H14(154)=C8H14(539)+C8H13(441) 1.160e+13 0.000 -0.130 ! Reaction index: Chemkin #460; RMG #28425 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 6 C8H14(539)+C8H13(441)=C8H14(443)+C8H13(150) 2.028e-03 4.340 3.700 ! Reaction index: Chemkin #461; RMG #28426 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 6 C8H14(539)+C8H13(739)=C8H14(443)+C8H13(150) 2.016e-03 4.340 4.700 ! Reaction index: Chemkin #462; RMG #28427 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H13(150)=C8H14(539)+C8H13(740) 9.040e-03 4.340 11.200 ! Reaction index: Chemkin #463; RMG #28428 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 C8H14(443)+C8H13(150)=C8H14(539)+C8H13(742) 9.040e-03 4.340 11.200 ! Reaction index: Chemkin #464; RMG #28430 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 6 C8H14(539)+C8H13(741)=C8H14(443)+C8H13(150) 1.740e-03 4.340 5.000 ! Reaction index: Chemkin #465; RMG #28431 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 3 C8H14(443)+C8H13(150)=C8H14(539)+C8H13(744) 4.350e-03 4.340 13.600 ! Reaction index: Chemkin #466; RMG #29916 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 6 C8H14(539)+S(1368)=S(1507)+C8H13(150) 2.028e-03 4.340 3.700 ! Reaction index: Chemkin #467; RMG #35156 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H2/Cd;S_Srad) HS2(25)+C8H13(150)=C8H14(539)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #468; RMG #35165 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H2/Cd) HS2(25)+C8H13(150)=C8H14(539)+S2JJ(13) 1.606e+04 2.560 9.451 ! Reaction index: Chemkin #469; RMG #104389 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H/Cs2Cd;C_rad/H2/Cd) S(2099)+C8H13(150)=C8H14(539)+S(2082) 2.780e-03 4.340 8.900 ! Reaction index: Chemkin #470; RMG #104392 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 S(2099)+C8H13(150)=C8H14(539)+S(1549) 9.040e-03 4.340 11.200 ! Reaction index: Chemkin #471; RMG #104394 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 6 C8H14(539)+S(2083)=S(2099)+C8H13(150) 1.740e-03 4.340 5.000 ! Reaction index: Chemkin #472; RMG #106203 ! Template reaction: Disproportionation ! Estimated using template (Y_2centerbirad;XH_Rrad) for rate rule (S2b;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H15(104)+S2JJ(13)=HS2(25)+C8H14(539) 2.761e+13 -0.400 3.819 ! Reaction index: Chemkin #473; RMG #106210 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C4H9S(14)=C4H9SH(4)+C8H14(539) 2.900e+12 0.000 0.000 ! Reaction index: Chemkin #474; RMG #106227 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C4H9SJ(15)=C4H9SH(4)+C8H14(539) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #475; RMG #106238 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_pri_rad;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+HSJ(16)=H2S(2)+C8H14(539) 1.626e+08 1.043 -1.400 ! Reaction index: Chemkin #476; RMG #106300 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C4H9(20)=C4H10(5)+C8H14(539) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #477; RMG #106310 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H17S(23)=DTBS(1)+C8H14(539) 2.900e+12 0.000 0.000 ! Reaction index: Chemkin #478; RMG #106322 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C4H7(33)=C4H8(3)+C8H14(539) 2.900e+12 0.000 -0.130 ! Reaction index: Chemkin #479; RMG #106572 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H13(150)=C8H14(539)+C8H14(539) 2.900e+12 0.000 -0.130 ! Reaction index: Chemkin #480; RMG #106573 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H15(104)+C8H13(150)=C8H14(539)+C8H14(124) 1.374e+14 -0.350 -0.130 ! Reaction index: Chemkin #481; RMG #106649 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H13(441)=C8H14(443)+C8H14(539) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #482; RMG #106726 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H13(744)=C8H14(443)+C8H14(539) 2.900e+12 0.000 -0.130 ! Reaction index: Chemkin #483; RMG #106783 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H/NonDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H13(739)=C8H14(443)+C8H14(539) 1.026e+14 -0.350 0.000 ! Reaction index: Chemkin #484; RMG #106829 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H13(741)=C8H14(443)+C8H14(539) 2.900e+12 0.000 0.000 ! Reaction index: Chemkin #485; RMG #106909 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+S(1368)=S(1507)+C8H14(539) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #486; RMG #107008 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H13(742)=C8H14(443)+C8H14(539) 1.526e+12 0.000 -0.550 ! Reaction index: Chemkin #487; RMG #107034 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H13(740)=C8H14(443)+C8H14(539) 1.526e+12 0.000 -0.550 ! Reaction index: Chemkin #488; RMG #107156 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+S(1549)=S(2099)+C8H14(539) 1.526e+12 0.000 -0.550 ! Reaction index: Chemkin #489; RMG #107167 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+S(2083)=S(2099)+C8H14(539) 2.900e+12 0.000 0.000 ! Reaction index: Chemkin #490; RMG #107250 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs2;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+S(2082)=S(2099)+C8H14(539) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #491; RMG #107590 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeS;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+HS2(25)=HSSH(17)+C8H14(539) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #492; RMG #108724 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H15(104)=S(8546)+C8H14(539) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #493; RMG #109089 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 6 C8H14(539)+C8H15(104)=S(8546)+C8H13(150) 2.028e-03 4.340 3.700 ! Reaction index: Chemkin #494; RMG #110903 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds-HH_Cds;SsJ-H) for rate rule (Cds-HH_Cds-CsCs;SsJ-H) C8H14(539)+HSJ(16)=S(8828) 2.490e+03 2.700 -0.800 ! Reaction index: Chemkin #495; RMG #113526 ! Template reaction: Intra_R_Add_Exocyclic ! Exact match found for rate rule (R4_S_D;doublebond_intra_NdNd_pri;radadd_intra_csNdNd) ! Ea raised from 39.7 to 42.6 kJ/mol to match endothermicity of reaction. S(8828)=S(9017) 1.420e+12 0.210 10.188 ! Reaction index: Chemkin #496; RMG #2304 ! Template reaction: intra_H_migration ! Estimated using average of templates (R4Hall;C_rad_out_single;Cs_H_out) + (R4H_SMS;Y_rad_out;XH_out) for rate rule ! (R4H_SDS;C_rad_out_2H;Cs_H_out_H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(150)=C8H13(506) 4.114e+06 1.125 77.983 ! Reaction index: Chemkin #497; RMG #110853 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H/TwoDe;S_Srad) ! Ea raised from 5.4 to 6.0 kJ/mol to match endothermicity of reaction. C8H13(506)+HS2(25)=C8H14(539)+S2(12) 1.162e+12 0.029 1.444 ! Reaction index: Chemkin #498; RMG #110864 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H/CdCd) HS2(25)+C8H13(506)=C8H14(539)+S2JJ(13) 1.606e+04 2.560 9.619 ! Reaction index: Chemkin #499; RMG #110876 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C4H9S(14)=C4H9SH(4)+C8H13(506) 2.440e-03 4.340 1.000 ! Reaction index: Chemkin #500; RMG #110896 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H/CdCd) ! Ea raised from 62.9 to 64.4 kJ/mol to match endothermicity of reaction. C4H9SH(4)+C8H13(506)=C8H14(539)+C4H9SJ(15) 3.810e+02 3.060 15.390 ! Reaction index: Chemkin #501; RMG #110904 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H/CdCd) ! Multiplied by reaction path degeneracy 2 H2S(2)+C8H13(506)=C8H14(539)+HSJ(16) 3.180e+02 3.060 17.503 ! Reaction index: Chemkin #502; RMG #110922 ! Template reaction: Disproportionation ! C_rad/H/TwoDe;Cmethyl_Csrad/H/CdExact match found for rate rule (C_rad/H/TwoDe;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C8H13(506)+C4H9(20)=C8H14(539)+C4H8(3) 4.500e+11 0.000 0.000 ! Reaction index: Chemkin #503; RMG #110970 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C4H9(20)=C4H10(5)+C8H13(506) 1.916e-03 4.340 -2.500 ! Reaction index: Chemkin #504; RMG #110982 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C8H17S(23)=DTBS(1)+C8H13(506) 2.440e-03 4.340 1.000 ! Reaction index: Chemkin #505; RMG #111006 ! Template reaction: H_Abstraction ! Estimated using template (C/H2/CdCd;C_rad/H2/Cd) for rate rule (C/H2/CdCd;C_rad/H2/Cd\Cs_Cd\H2) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C4H7(33)=C4H8(3)+C8H13(506) 3.860e-03 4.340 6.700 ! Reaction index: Chemkin #506; RMG #111040 ! Template reaction: Disproportionation ! C_rad/H/TwoDe;Cmethyl_Csrad/H/CdExact match found for rate rule (C_rad/H/TwoDe;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C8H15(104)=C8H14(539)+C8H14(124) 3.000e+11 0.000 0.000 ! Reaction index: Chemkin #507; RMG #111292 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C8H13(150)=C8H14(539)+C8H13(506) 3.860e-03 4.340 6.700 ! Reaction index: Chemkin #508; RMG #111304 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C8H13(150)=C8H14(124)+C8H13(506) 1.962e-03 4.340 6.300 ! Reaction index: Chemkin #509; RMG #111338 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/TwoDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H13(506)+C8H14(154)=C8H14(539)+C8H13(441) 1.552e+13 0.000 0.360 ! Reaction index: Chemkin #510; RMG #111364 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C8H13(441)=C8H14(443)+C8H13(506) 1.916e-03 4.340 -2.500 ! Reaction index: Chemkin #511; RMG #111446 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C8H13(744)=C8H14(443)+C8H13(506) 3.860e-03 4.340 6.700 ! Reaction index: Chemkin #512; RMG #111504 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C8H13(739)=C8H14(443)+C8H13(506) 2.320e-03 4.340 -0.400 ! Reaction index: Chemkin #513; RMG #111553 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C8H13(741)=C8H14(443)+C8H13(506) 2.440e-03 4.340 1.000 ! Reaction index: Chemkin #514; RMG #111631 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H14(539)+S(1368)=S(1507)+C8H13(506) 1.916e-03 4.340 -2.500 ! Reaction index: Chemkin #515; RMG #111738 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C8H13(742)=C8H14(443)+C8H13(506) 1.962e-03 4.340 6.300 ! Reaction index: Chemkin #516; RMG #111766 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C8H13(740)=C8H14(443)+C8H13(506) 1.962e-03 4.340 6.300 ! Reaction index: Chemkin #517; RMG #111867 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 C8H14(539)+S(1549)=S(2099)+C8H13(506) 1.962e-03 4.340 6.300 ! Reaction index: Chemkin #518; RMG #111895 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 C8H14(539)+S(2083)=S(2099)+C8H13(506) 2.440e-03 4.340 1.000 ! Reaction index: Chemkin #519; RMG #111977 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/CdCs2) ! Multiplied by reaction path degeneracy 2 C8H14(539)+S(2082)=S(2099)+C8H13(506) 2.500e-04 4.340 4.600 ! Reaction index: Chemkin #520; RMG #112315 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCd) ! Multiplied by reaction path degeneracy 2 HSSH(17)+C8H13(506)=C8H14(539)+HS2(25) 2.640e+02 3.060 6.200 ! Reaction index: Chemkin #521; RMG #113479 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H14(539)+C8H15(104)=S(8546)+C8H13(506) 1.916e-03 4.340 -2.500 ! Reaction index: Chemkin #522; RMG #113513 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/TwoDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(506)+C8H15(104)=C8H14(539)+C8H14(539) 3.880e+12 0.000 0.360 ! Reaction index: Chemkin #523; RMG #2348 ! Template reaction: Disproportionation ! Estimated using template (Y_2centerbirad;XH_Rrad) for rate rule (S2b;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 8 C8H13(150)+S2JJ(13)=HS2(25)+C8H12(521) 2.761e+13 -0.400 3.819 ! Reaction index: Chemkin #524; RMG #2373 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cs;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(150)+C4H9S(14)=C4H9SH(4)+C8H12(521) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #525; RMG #2396 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeC;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(150)+C4H9SJ(15)=C4H9SH(4)+C8H12(521) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #526; RMG #2412 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_pri_rad;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(150)+HSJ(16)=H2S(2)+C8H12(521) 1.626e+08 1.043 -1.400 ! Reaction index: Chemkin #527; RMG #2519 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs3;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(150)+C4H9(20)=C4H10(5)+C8H12(521) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #528; RMG #2540 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cs;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(150)+C8H17S(23)=DTBS(1)+C8H12(521) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #529; RMG #2589 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(150)+C4H7(33)=C4H8(3)+C8H12(521) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #530; RMG #3014 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(150)+C8H13(150)=C8H14(539)+C8H12(521) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #531; RMG #3028 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(150)+C8H13(150)=C8H14(124)+C8H12(521) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #532; RMG #3950 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs3;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(441)+C8H13(150)=C8H14(443)+C8H12(521) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #533; RMG #5577 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(744)+C8H13(150)=C8H14(443)+C8H12(521) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #534; RMG #6541 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/NonDeC;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(739)+C8H13(150)=C8H14(443)+C8H12(521) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #535; RMG #7641 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cs;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(741)+C8H13(150)=C8H14(443)+C8H12(521) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #536; RMG #9500 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs3;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 S(1368)+C8H13(150)=S(1507)+C8H12(521) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #537; RMG #12335 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(742)+C8H13(150)=C8H14(443)+C8H12(521) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #538; RMG #13304 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(740)+C8H13(150)=C8H14(443)+C8H12(521) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #539; RMG #16431 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 S(1549)+C8H13(150)=S(2099)+C8H12(521) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #540; RMG #17650 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cs;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 S(2083)+C8H13(150)=S(2099)+C8H12(521) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #541; RMG #20527 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs2;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 S(2082)+C8H13(150)=S(2099)+C8H12(521) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #542; RMG #35172 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeS;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 HS2(25)+C8H13(150)=HSSH(17)+C8H12(521) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #543; RMG #106608 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs3;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H13(150)=S(8546)+C8H12(521) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #544; RMG #118056 ! Template reaction: Disproportionation ! Estimated using template (Y_2centerbirad;XH_Rrad) for rate rule (S2b;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 24 C8H13(506)+S2JJ(13)=HS2(25)+C8H12(521) 8.282e+13 -0.400 3.819 ! Reaction index: Chemkin #545; RMG #118087 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C4H9S(14)=C4H9SH(4)+C8H12(521) 1.380e+14 -0.350 0.000 ! Reaction index: Chemkin #546; RMG #118117 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cmethyl_Rrad) for rate rule (S_rad/NonDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C4H9SJ(15)=C4H9SH(4)+C8H12(521) 5.874e+12 0.000 0.000 ! Reaction index: Chemkin #547; RMG #118135 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_pri_rad;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+HSJ(16)=H2S(2)+C8H12(521) 4.877e+08 1.043 -1.400 ! Reaction index: Chemkin #548; RMG #118275 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C4H9(20)=C4H10(5)+C8H12(521) 1.716e+16 -1.100 0.000 ! Reaction index: Chemkin #549; RMG #118301 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C8H17S(23)=DTBS(1)+C8H12(521) 1.380e+14 -0.350 0.000 ! Reaction index: Chemkin #550; RMG #118359 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C4H7(33)=C4H8(3)+C8H12(521) 1.374e+14 -0.350 -0.130 ! Reaction index: Chemkin #551; RMG #118876 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H13(506)+C8H13(150)=C8H14(539)+C8H12(521) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #552; RMG #118890 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C8H13(150)=C8H14(124)+C8H12(521) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #553; RMG #118993 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C8H13(441)=C8H14(443)+C8H12(521) 1.716e+16 -1.100 0.000 ! Reaction index: Chemkin #554; RMG #119161 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C8H13(744)=C8H14(443)+C8H12(521) 1.374e+14 -0.350 -0.130 ! Reaction index: Chemkin #555; RMG #119251 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H/NonDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C8H13(739)=C8H14(443)+C8H12(521) 1.266e+15 -0.700 0.000 ! Reaction index: Chemkin #556; RMG #119350 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C8H13(741)=C8H14(443)+C8H12(521) 1.380e+14 -0.350 0.000 ! Reaction index: Chemkin #557; RMG #119512 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+S(1368)=S(1507)+C8H12(521) 1.716e+16 -1.100 0.000 ! Reaction index: Chemkin #558; RMG #119717 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C8H13(742)=C8H14(443)+C8H12(521) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #559; RMG #119778 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C8H13(740)=C8H14(443)+C8H12(521) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #560; RMG #119953 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+S(1549)=S(2099)+C8H12(521) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #561; RMG #119998 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+S(2083)=S(2099)+C8H12(521) 1.380e+14 -0.350 0.000 ! Reaction index: Chemkin #562; RMG #120159 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/Cs2;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+S(2082)=S(2099)+C8H12(521) 6.970e+12 0.029 1.299 ! Reaction index: Chemkin #563; RMG #120913 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cmethyl_Rrad) for rate rule (S_rad/NonDeS;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+HS2(25)=HSSH(17)+C8H12(521) 5.874e+12 0.000 0.000 ! Reaction index: Chemkin #564; RMG #123075 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C8H15(104)=S(8546)+C8H12(521) 1.716e+16 -1.100 0.000 ! Reaction index: Chemkin #565; RMG #123319 ! Template reaction: Disproportionation ! C_rad/H/TwoDe;Cmethyl_Csrad/H/CdExact match found for rate rule (C_rad/H/TwoDe;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C8H13(506)=C8H14(539)+C8H12(521) 3.000e+11 0.000 0.000 ! Reaction index: Chemkin #566; RMG #2327 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H/TwoDe;S_Srad) ! Ea raised from 39.3 to 39.5 kJ/mol to match endothermicity of reaction. C8H12(514)+HS2(25)=C8H13(150)+S2(12) 1.162e+12 0.029 9.437 ! Reaction index: Chemkin #567; RMG #2440 ! Template reaction: Disproportionation ! C_rad/H/TwoDe;Cmethyl_Csrad/H/CdExact match found for rate rule (C_rad/H/TwoDe;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C8H12(514)+C4H9(20)=C8H13(150)+C4H8(3) 4.500e+11 0.000 0.000 ! Reaction index: Chemkin #568; RMG #2633 ! Template reaction: Disproportionation ! C_rad/H/TwoDe;Cmethyl_Csrad/H/CdExact match found for rate rule (C_rad/H/TwoDe;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H12(514)+C8H15(104)=C8H13(150)+C8H14(124) 3.000e+11 0.000 0.000 ! Reaction index: Chemkin #569; RMG #3939 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/TwoDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C8H12(514)+C8H14(154)=C8H13(441)+C8H13(150) 1.552e+13 0.000 0.360 ! Reaction index: Chemkin #570; RMG #111284 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/TwoDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H12(514)+C8H15(104)=C8H14(539)+C8H13(150) 3.880e+12 0.000 0.360 ! Reaction index: Chemkin #571; RMG #118033 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H2/Cd;S_Srad) ! Multiplied by reaction path degeneracy 2 C8H12(514)+HS2(25)=C8H13(506)+S2(12) 2.323e+12 0.029 1.299 ! Reaction index: Chemkin #572; RMG #118174 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 18 C8H12(514)+C4H9(20)=C8H13(506)+C4H8(3) 4.122e+14 -0.350 -0.130 ! Reaction index: Chemkin #573; RMG #118405 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 12 C8H12(514)+C8H15(104)=C8H13(506)+C8H14(124) 2.748e+14 -0.350 -0.130 ! Reaction index: Chemkin #574; RMG #118947 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 16 C8H12(514)+C8H14(154)=C8H13(506)+C8H13(441) 2.320e+13 0.000 -0.130 ! Reaction index: Chemkin #575; RMG #123138 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 4 C8H12(514)+C8H15(104)=C8H13(506)+C8H14(539) 5.800e+12 0.000 -0.130 ! Reaction index: Chemkin #576; RMG #123327 ! Template reaction: 1,2-Birad_to_alkene ! Estimated using template (Y_12_02) for rate rule (Y_12_02b) ! Multiplied by reaction path degeneracy 2 C8H12(514)=C8H12(521) 5.020e+07 0.000 0.000 ! Reaction index: Chemkin #577; RMG #123631 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H12(514)+C8H13(150)=C8H12(521)+C8H13(150) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #578; RMG #123635 ! Template reaction: Disproportionation ! C_rad/H/TwoDe;Cmethyl_Csrad/H/CdExact match found for rate rule (C_rad/H/TwoDe;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H12(514)+C8H13(506)=C8H12(521)+C8H13(150) 3.000e+11 0.000 0.000 ! Reaction index: Chemkin #579; RMG #125194 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 4 C8H12(514)+C8H13(150)=C8H12(521)+C8H13(506) 4.018e+12 0.000 -0.043 ! Reaction index: Chemkin #580; RMG #125196 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 12 C8H12(514)+C8H13(506)=C8H12(521)+C8H13(506) 2.748e+14 -0.350 -0.130 ! Reaction index: Chemkin #581; RMG #3529 ! Template reaction: Disproportionation ! Estimated using template (Y_2centerbirad;XH_Rrad) for rate rule (S2b;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 8 C8H13(441)+S2JJ(13)=HS2(25)+C8H12(735) 2.761e+13 -0.400 3.819 ! Reaction index: Chemkin #582; RMG #3538 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cs;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(441)+C4H9S(14)=C4H9SH(4)+C8H12(735) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #583; RMG #3557 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(441)+C4H9SJ(15)=C4H9SH(4)+C8H12(735) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #584; RMG #3569 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_pri_rad;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(441)+HSJ(16)=H2S(2)+C8H12(735) 1.626e+08 1.043 -1.400 ! Reaction index: Chemkin #585; RMG #3629 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs3;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(441)+C4H9(20)=C4H10(5)+C8H12(735) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #586; RMG #3640 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cs;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(441)+C8H17S(23)=DTBS(1)+C8H12(735) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #587; RMG #3654 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(441)+C4H7(33)=C4H8(3)+C8H12(735) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #588; RMG #3913 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(441)+C8H13(150)=C8H14(539)+C8H12(735) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #589; RMG #3952 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(441)+C8H13(150)=C8H14(124)+C8H12(735) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #590; RMG #3995 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs3;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(441)+C8H13(441)=C8H14(443)+C8H12(735) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #591; RMG #5650 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(744)+C8H13(441)=C8H14(443)+C8H12(735) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #592; RMG #6583 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/NonDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(739)+C8H13(441)=C8H14(443)+C8H12(735) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #593; RMG #7683 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cs;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(741)+C8H13(441)=C8H14(443)+C8H12(735) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #594; RMG #9537 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs3;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(1368)+C8H13(441)=S(1507)+C8H12(735) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #595; RMG #12372 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(742)+C8H13(441)=C8H14(443)+C8H12(735) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #596; RMG #12749 ! Template reaction: Disproportionation ! Estimated using template (Y_2centerbirad;XH_Rrad) for rate rule (S2b;C/H/NdMd_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 4 C8H13(740)+S2JJ(13)=HS2(25)+C8H12(735) 1.380e+13 -0.400 3.819 ! Reaction index: Chemkin #597; RMG #12761 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H2/Cs;C/H/NdNd_Csrad) for rate rule (C_rad/H2/Cs;C/H/NdMd_Csrad/H/Cd) C8H13(740)+C4H9S(14)=C4H9SH(4)+C8H12(735) 8.430e+11 0.000 0.000 ! Reaction index: Chemkin #598; RMG #12784 ! Template reaction: Disproportionation ! Estimated using template (S_rad/NonDeC;C/H/NdNd_Csrad) for rate rule (S_rad/NonDeC;C/H/NdMd_Csrad/H/Cd) C8H13(740)+C4H9SJ(15)=C4H9SH(4)+C8H12(735) 7.630e+11 0.000 -0.550 ! Reaction index: Chemkin #599; RMG #12801 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_pri_rad;C/H/NdMd_Csrad/H/Cd) C8H13(740)+HSJ(16)=H2S(2)+C8H12(735) 8.129e+07 1.043 -1.400 ! Reaction index: Chemkin #600; RMG #12883 ! Template reaction: Disproportionation ! Estimated using template (C_rad/Cs3;C/H/NdNd_Csrad) for rate rule (C_rad/Cs3;C/H/NdMd_Csrad/H/Cd) C8H13(740)+C4H9(20)=C4H10(5)+C8H12(735) 1.080e+14 -0.750 0.000 ! Reaction index: Chemkin #601; RMG #12899 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H2/Cs;C/H/NdNd_Csrad) for rate rule (C_rad/H2/Cs;C/H/NdMd_Csrad/H/Cd) C8H13(740)+C8H17S(23)=DTBS(1)+C8H12(735) 8.430e+11 0.000 0.000 ! Reaction index: Chemkin #602; RMG #12920 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H2/Cd;C/H/NdNd_Csrad) for rate rule (C_rad/H2/Cd;C/H/NdMd_Csrad/H/Cd) C8H13(740)+C4H7(33)=C4H8(3)+C8H12(735) 7.830e+11 0.000 -0.130 ! Reaction index: Chemkin #603; RMG #13272 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H2/Cd;C/H/NdNd_Csrad) for rate rule (C_rad/H2/Cd;C/H/NdMd_Csrad/H/Cd) C8H13(740)+C8H13(150)=C8H14(539)+C8H12(735) 7.830e+11 0.000 -0.130 ! Reaction index: Chemkin #604; RMG #13305 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Csec_Rrad) for rate rule (C_rad/H/OneDeC;C/H/NdMd_Csrad/H/Cd) C8H13(740)+C8H13(150)=C8H14(124)+C8H12(735) 2.560e+13 -0.350 0.000 ! Reaction index: Chemkin #605; RMG #13371 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 3 C8H13(740)+C8H13(441)=C8H14(443)+C8H12(735) 3.794e+08 1.000 0.238 ! Reaction index: Chemkin #606; RMG #13482 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H2/Cd;C/H/NdNd_Csrad) for rate rule (C_rad/H2/Cd;C/H/NdMd_Csrad/H/Cd) C8H13(740)+C8H13(744)=C8H14(443)+C8H12(735) 7.830e+11 0.000 -0.130 ! Reaction index: Chemkin #607; RMG #13559 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/NonDeC;C/H/NdNd_Csrad) for rate rule (C_rad/H/NonDeC;C/H/NdMd_Csrad/H/Cd) C8H13(740)+C8H13(739)=C8H14(443)+C8H12(735) 2.560e+13 -0.350 0.000 ! Reaction index: Chemkin #608; RMG #13624 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H2/Cs;C/H/NdNd_Csrad) for rate rule (C_rad/H2/Cs;C/H/NdMd_Csrad/H/Cd) C8H13(740)+C8H13(741)=C8H14(443)+C8H12(735) 8.430e+11 0.000 0.000 ! Reaction index: Chemkin #609; RMG #13737 ! Template reaction: Disproportionation ! Estimated using template (C_rad/Cs3;C/H/NdNd_Csrad) for rate rule (C_rad/Cs3;C/H/NdMd_Csrad/H/Cd) C8H13(740)+S(1368)=S(1507)+C8H12(735) 1.080e+14 -0.750 0.000 ! Reaction index: Chemkin #610; RMG #13883 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Csec_Rrad) for rate rule (C_rad/H/OneDeC;C/H/NdMd_Csrad/H/Cd) C8H13(740)+C8H13(742)=C8H14(443)+C8H12(735) 2.560e+13 -0.350 0.000 ! Reaction index: Chemkin #611; RMG #13914 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Csec_Rrad) for rate rule (C_rad/H/OneDeC;C/H/NdMd_Csrad/H/Cd) C8H13(740)+C8H13(740)=C8H14(443)+C8H12(735) 2.560e+13 -0.350 0.000 ! Reaction index: Chemkin #612; RMG #16503 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(1549)+C8H13(441)=S(2099)+C8H12(735) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #613; RMG #17063 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Csec_Rrad) for rate rule (C_rad/H/OneDeC;C/H/NdMd_Csrad/H/Cd) S(1549)+C8H13(740)=S(2099)+C8H12(735) 2.560e+13 -0.350 0.000 ! Reaction index: Chemkin #614; RMG #17692 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cs;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(2083)+C8H13(441)=S(2099)+C8H12(735) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #615; RMG #18077 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H2/Cs;C/H/NdNd_Csrad) for rate rule (C_rad/H2/Cs;C/H/NdMd_Csrad/H/Cd) S(2083)+C8H13(740)=S(2099)+C8H12(735) 8.430e+11 0.000 0.000 ! Reaction index: Chemkin #616; RMG #20562 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs2;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(2082)+C8H13(441)=S(2099)+C8H12(735) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #617; RMG #20897 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Csec_Rrad) for rate rule (C_rad/Cs2;C/H/NdMd_Csrad/H/Cd) S(2082)+C8H13(740)=S(2099)+C8H12(735) 1.080e+14 -0.750 0.000 ! Reaction index: Chemkin #618; RMG #35196 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeS;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 HS2(25)+C8H13(441)=HSSH(17)+C8H12(735) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #619; RMG #35433 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Csec_Rrad) for rate rule (S_rad/NonDeS;C/H/NdMd_Csrad/H/Cd) HS2(25)+C8H13(740)=HSSH(17)+C8H12(735) 7.630e+11 0.000 -0.550 ! Reaction index: Chemkin #620; RMG #106647 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs3;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H15(104)+C8H13(441)=S(8546)+C8H12(735) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #621; RMG #107032 ! Template reaction: Disproportionation ! Estimated using template (C_rad/Cs3;C/H/NdNd_Csrad) for rate rule (C_rad/Cs3;C/H/NdMd_Csrad/H/Cd) C8H15(104)+C8H13(740)=S(8546)+C8H12(735) 1.080e+14 -0.750 0.000 ! Reaction index: Chemkin #622; RMG #118976 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(506)+C8H13(441)=C8H14(539)+C8H12(735) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #623; RMG #119758 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Csec_Rrad) for rate rule (C_rad/H/TwoDe;C/H/NdMd_Csrad/H/Cd) C8H13(506)+C8H13(740)=C8H14(539)+C8H12(735) 2.560e+13 -0.350 0.000 ! Reaction index: Chemkin #624; RMG #125228 ! Template reaction: Birad_recombination ! Estimated using template (R6;C_rad_out_single;Cpri_rad_out_single) for rate rule (R6_SDSDS;C_rad_out_2H;Cpri_rad_out_2H) ! Multiplied by reaction path degeneracy 2 C8H12(514)=C8H12(735) 5.068e+11 0.069 1.960 ! Reaction index: Chemkin #625; RMG #125840 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 4 C8H12(514)+C8H13(441)=C8H13(506)+C8H12(735) 4.018e+12 0.000 -0.043 ! Reaction index: Chemkin #626; RMG #125855 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C8H12(514)+C8H13(441)=C8H13(150)+C8H12(735) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #627; RMG #126282 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H2/Cd;C/H/NdNd_Csrad) for rate rule (C_rad/H2/Cd;C/H/NdMd_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C8H12(514)+C8H13(740)=C8H13(506)+C8H12(735) 1.566e+12 0.000 -0.130 ! Reaction index: Chemkin #628; RMG #126297 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Csec_Rrad) for rate rule (C_rad/H/TwoDe;C/H/NdMd_Csrad/H/Cd) C8H12(514)+C8H13(740)=C8H13(150)+C8H12(735) 2.560e+13 -0.350 0.000 ! Reaction index: Chemkin #629; RMG #125242 ! Template reaction: Birad_recombination ! Estimated using template (R4;C_rad_out_single;Cpri_rad_out_single) for rate rule (R4_SDS;C_rad_out_2H;Cpri_rad_out_H/OneDe) ! Multiplied by reaction path degeneracy 2 C8H12(514)=S(9808) 3.240e+12 -0.305 1.980 ! Reaction index: Chemkin #630; RMG #128368 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H/OneDeC;S_Srad) S(10047)+HS2(25)=C8H12(735)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #631; RMG #128374 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H/CdCs) HS2(25)+S(10047)=C8H12(735)+S2JJ(13) 1.606e+04 2.560 9.570 ! Reaction index: Chemkin #632; RMG #128383 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C4H9S(14)=C4H9SH(4)+S(10047) 3.612e-03 4.340 3.500 ! Reaction index: Chemkin #633; RMG #128394 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H/CdCs) ! Ea raised from 44.0 to 44.4 kJ/mol to match endothermicity of reaction. C4H9SH(4)+S(10047)=C8H12(735)+C4H9SJ(15) 1.930e+02 3.060 10.617 ! Reaction index: Chemkin #634; RMG #128401 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 H2S(2)+S(10047)=C8H12(735)+HSJ(16) 2.320e+02 3.060 13.003 ! Reaction index: Chemkin #635; RMG #128412 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 S(10047)+C4H9(20)=C8H12(735)+C4H8(3) 2.923e+13 -0.350 0.000 ! Reaction index: Chemkin #636; RMG #128434 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C4H9(20)=C4H10(5)+S(10047) 2.804e-03 4.340 1.900 ! Reaction index: Chemkin #637; RMG #128441 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C8H17S(23)=DTBS(1)+S(10047) 3.612e-03 4.340 3.500 ! Reaction index: Chemkin #638; RMG #128454 ! Template reaction: H_Abstraction ! Estimated using template (C/H2/CdCs;C_rad/H2/Cd) for rate rule (C/H2/CdCs;C_rad/H2/Cd\Cs_Cd\H2) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C4H7(33)=C4H8(3)+S(10047) 1.808e-02 4.340 11.200 ! Reaction index: Chemkin #639; RMG #128474 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(10047)+C8H15(104)=C8H12(735)+C8H14(124) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #640; RMG #128600 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C8H13(150)=C8H14(539)+S(10047) 1.808e-02 4.340 11.200 ! Reaction index: Chemkin #641; RMG #128607 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C8H13(150)=C8H14(124)+S(10047) 9.160e-03 4.340 11.700 ! Reaction index: Chemkin #642; RMG #128626 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 S(10047)+C8H14(154)=C8H12(735)+C8H13(441) 6.104e+12 0.000 -0.550 ! Reaction index: Chemkin #643; RMG #128639 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C8H13(441)=C8H14(443)+S(10047) 2.804e-03 4.340 1.900 ! Reaction index: Chemkin #644; RMG #128682 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C8H13(744)=C8H14(443)+S(10047) 1.808e-02 4.340 11.200 ! Reaction index: Chemkin #645; RMG #128713 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C8H13(739)=C8H14(443)+S(10047) 3.412e-03 4.340 3.100 ! Reaction index: Chemkin #646; RMG #128739 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C8H13(741)=C8H14(443)+S(10047) 3.612e-03 4.340 3.500 ! Reaction index: Chemkin #647; RMG #128780 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 4 C8H12(735)+S(1368)=S(1507)+S(10047) 2.804e-03 4.340 1.900 ! Reaction index: Chemkin #648; RMG #128836 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C8H13(742)=C8H14(443)+S(10047) 9.160e-03 4.340 11.700 ! Reaction index: Chemkin #649; RMG #128851 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C8H13(740)=C8H14(443)+S(10047) 9.160e-03 4.340 11.700 ! Reaction index: Chemkin #650; RMG #128905 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 4 C8H12(735)+S(1549)=S(2099)+S(10047) 9.160e-03 4.340 11.700 ! Reaction index: Chemkin #651; RMG #128920 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 4 C8H12(735)+S(2083)=S(2099)+S(10047) 3.612e-03 4.340 3.500 ! Reaction index: Chemkin #652; RMG #128963 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/CdCs2) ! Multiplied by reaction path degeneracy 4 C8H12(735)+S(2082)=S(2099)+S(10047) 1.164e-03 4.340 10.900 ! Reaction index: Chemkin #653; RMG #129130 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 HSSH(17)+S(10047)=C8H12(735)+HS2(25) 3.520e+02 3.060 1.200 ! Reaction index: Chemkin #654; RMG #129741 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/Cs3) ! Multiplied by reaction path degeneracy 4 C8H12(735)+C8H15(104)=S(8546)+S(10047) 2.804e-03 4.340 1.900 ! Reaction index: Chemkin #655; RMG #129760 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H15(104)=C8H12(735)+C8H14(539) 1.526e+12 0.000 -0.550 ! Reaction index: Chemkin #656; RMG #129813 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 C8H14(539)+S(10047)=C8H12(735)+C8H13(506) 1.962e-03 4.340 6.300 ! Reaction index: Chemkin #657; RMG #129822 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H13(150)=C8H12(735)+C8H12(521) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #658; RMG #129823 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(10047)+C8H13(506)=C8H12(735)+C8H12(521) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #659; RMG #129843 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Csec_Rrad) for rate rule (C_rad/H/OneDeC;C/H/NdMd_Csrad/H/Cd) S(10047)+C8H13(740)=C8H12(735)+C8H12(735) 2.560e+13 -0.350 0.000 ! Reaction index: Chemkin #660; RMG #129844 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H13(441)=C8H12(735)+C8H12(735) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #661; RMG #132922 ! Template reaction: Intra_R_Add_Exocyclic ! Exact match found for rate rule (R4_S_D;doublebond_intra_NdCd_pri;radadd_intra_csNdCd) S(10047)=S(10429) 5.820e+11 0.210 14.830 DUPLICATE ! Reaction index: Chemkin #662; RMG #132934 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (R5_SM;multiplebond_intra;radadd_intra) for rate rule (R5_SD_D;doublebond_intra_secNd_HNd;radadd_intra_csNdNd) S(10047)=S(10429) 1.000e+10 0.190 30.000 DUPLICATE ! Reaction index: Chemkin #663; RMG #7 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H2/Cs;H_rad) C8H17S(23)+H(24)=DTBS(1) 1.000e+14 0.000 0.000 ! Reaction index: Chemkin #664; RMG #17 ! Template reaction: R_Recombination ! Exact match found for rate rule (SsJ-H;H_rad) HSJ(16)+H(24)=H2S(2) 7.070e+12 0.560 -0.080 ! Reaction index: Chemkin #665; RMG #23 ! Template reaction: SubstitutionS ! Exact match found for rate rule (S-HSs(H);HJ) ! Multiplied by reaction path degeneracy 2 HSSH(17)+H(24)=H2S(2)+HSJ(16) 1.086e+09 1.560 0.800 ! Reaction index: Chemkin #666; RMG #27 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H2/Cd;H_rad) C4H7(33)+H(24)=C4H8(3) 2.920e+13 0.180 0.124 ! Reaction index: Chemkin #667; RMG #76 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H2/Cs;H_rad) C4H9S(14)+H(24)=C4H9SH(4) 1.000e+14 0.000 0.000 ! Reaction index: Chemkin #668; RMG #77 ! Template reaction: R_Recombination ! Estimated using template (H_rad;SJ) for rate rule (H_rad;SsJ-Cs) H(24)+C4H9SJ(15)=C4H9SH(4) 7.070e+12 0.560 -0.080 ! Reaction index: Chemkin #669; RMG #95 ! Template reaction: R_Recombination ! Estimated using template (Cs_rad;H_rad) for rate rule (C_rad/Cs3;H_rad) C4H9(20)+H(24)=C4H10(5) 5.000e+13 0.000 0.000 ! Reaction index: Chemkin #670; RMG #123 ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-HH_Cds-CsCs;HJ) C4H8(3)+H(24)=C4H9(20) 2.880e+08 1.640 -0.010 ! Reaction index: Chemkin #671; RMG #133 ! Template reaction: SubstitutionS ! S-Cs(HHH)H;CsJ-CsCsCsExact match found for rate rule (S-CsH;CsJ-CsCsCs) C4H9(20)+C4H9S(14)=C8H17S(23)+H(24) 7.520e-03 3.430 21.126 ! Reaction index: Chemkin #672; RMG #142 ! Template reaction: SubstitutionS ! Exact match found for rate rule (S-HCs(CsCsCs);HJ) C4H9SH(4)+H(24)=C4H9(20)+H2S(2) 2.790e+08 1.630 2.400 ! Reaction index: Chemkin #673; RMG #149 ! Template reaction: SubstitutionS ! Estimated using template (S-Cs(NonDe)Cs(NonDe);HJ) for rate rule (S-Cs(CsCsCs)Cs(CsCsCs);HJ) ! Multiplied by reaction path degeneracy 2 DTBS(1)+H(24)=C4H9(20)+C4H9SH(4) 2.159e+08 1.593 3.454 ! Reaction index: Chemkin #674; RMG #398 ! Template reaction: R_Recombination ! Estimated using template (C_rad/H/OneDeC;H_rad) for rate rule (C_rad/H/CdCs;H_rad) C8H13(150)+H(24)=C8H14(124) 2.920e+13 0.180 0.124 ! Reaction index: Chemkin #675; RMG #585 ! Template reaction: SubstitutionS ! S-Cs(HHH)H;CsJ-CsCsCsExact match found for rate rule (S-CsH;CsJ-CsCsCs) C4H9S(45)+C4H9(20)=C8H17S(44)+H(24) 7.520e-03 3.430 16.600 ! Reaction index: Chemkin #676; RMG #797 ! Template reaction: SubstitutionS ! S-Cs(HHH)H;CsJ-CsCsCsExact match found for rate rule (S-CsH;CsJ-CsCsCs) S(167)+C4H9(20)=S(165)+H(24) 7.520e-03 3.430 16.600 ! Reaction index: Chemkin #677; RMG #1237 ! Template reaction: SubstitutionS ! S-Cs(HHH)H;CsJ-CsCsCsExact match found for rate rule (S-CsH;CsJ-CsCsCs) S(166)+C4H9(20)=S(164)+H(24) 7.520e-03 3.430 21.176 ! Reaction index: Chemkin #678; RMG #1747 ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsCs;HJ) C8H13(441)+H(24)=C8H14(154) 1.690e+08 1.640 0.850 ! Reaction index: Chemkin #679; RMG #2314 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H/CdCd;H_rad) C8H12(514)+H(24)=C8H13(150) 2.000e+13 0.000 0.000 ! Reaction index: Chemkin #680; RMG #2321 ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CdH_Cds-CdH;HJ) ! Multiplied by reaction path degeneracy 2 C8H12(521)+H(24)=C8H13(150) 3.240e+08 1.640 0.920 ! Reaction index: Chemkin #681; RMG #3498 ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CdH_Cds-CsCs;HJ) ! Multiplied by reaction path degeneracy 2 C8H12(735)+H(24)=C8H13(441) 4.040e+08 1.640 1.390 ! Reaction index: Chemkin #682; RMG #12708 ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsCs_Cds-CdH;HJ) ! Multiplied by reaction path degeneracy 2 C8H12(735)+H(24)=C8H13(740) 1.434e+08 1.640 1.180 ! Reaction index: Chemkin #683; RMG #28083 ! Template reaction: R_Recombination ! Estimated using template (Cs_rad;H_rad) for rate rule (C_rad/Cs3;H_rad) C8H13(441)+H(24)=C8H14(443) 5.000e+13 0.000 0.000 ! Reaction index: Chemkin #684; RMG #28084 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H/NonDeC;H_rad) C8H13(739)+H(24)=C8H14(443) 2.000e+13 0.000 0.000 ! Reaction index: Chemkin #685; RMG #28085 ! Template reaction: R_Recombination ! Estimated using template (C_rad/H/OneDeC;H_rad) for rate rule (C_rad/H/CdCs;H_rad) C8H13(740)+H(24)=C8H14(443) 2.920e+13 0.180 0.124 ! Reaction index: Chemkin #686; RMG #28086 ! Template reaction: R_Recombination ! Estimated using template (C_rad/H/OneDeC;H_rad) for rate rule (C_rad/H/CdCs;H_rad) C8H13(742)+H(24)=C8H14(443) 2.920e+13 0.180 0.124 ! Reaction index: Chemkin #687; RMG #28089 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H2/Cs;H_rad) C8H13(741)+H(24)=C8H14(443) 1.000e+14 0.000 0.000 ! Reaction index: Chemkin #688; RMG #28090 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H2/Cd;H_rad) C8H13(744)+H(24)=C8H14(443) 2.920e+13 0.180 0.124 ! Reaction index: Chemkin #689; RMG #29651 ! Template reaction: R_Recombination ! Estimated using template (Cs_rad;H_rad) for rate rule (C_rad/Cs3;H_rad) S(1368)+H(24)=S(1507) 5.000e+13 0.000 0.000 ! Reaction index: Chemkin #690; RMG #31664 ! Template reaction: SubstitutionS ! S-Cs(HHH)H;CsJ-CsCsCsExact match found for rate rule (S-CsH;CsJ-CsCsCs) S(2927)+C4H9(20)=S(2919)+H(24) 7.520e-03 3.430 21.176 ! Reaction index: Chemkin #691; RMG #32768 ! Template reaction: SubstitutionS ! S-Cs(HHH)H;CsJ-CsCsCsExact match found for rate rule (S-CsH;CsJ-CsCsCs) S(2928)+C4H9(20)=S(2920)+H(24) 7.520e-03 3.430 18.576 ! Reaction index: Chemkin #692; RMG #35045 ! Template reaction: R_Addition_MultipleBond ! Estimated using an average for rate rule (Sd_R;HJ) ! Multiplied by reaction path degeneracy 2 S2(12)+H(24)=HS2(25) 1.451e+09 1.470 -0.525 ! Reaction index: Chemkin #693; RMG #35046 ! Template reaction: R_Recombination ! SsJ-H;H_radExact match found for rate rule (H_rad;SJ) ! Multiplied by reaction path degeneracy 2 H(24)+S2JJ(13)=HS2(25) 1.414e+13 0.560 -0.080 ! Reaction index: Chemkin #694; RMG #104031 ! Template reaction: R_Recombination ! Estimated using template (C_rad/OneDe;H_rad) for rate rule (C_rad/Cs2;H_rad) S(2082)+H(24)=S(2099) 2.920e+13 0.180 0.124 ! Reaction index: Chemkin #695; RMG #104035 ! Template reaction: R_Recombination ! Estimated using template (C_rad/H/OneDeC;H_rad) for rate rule (C_rad/H/CdCs;H_rad) S(1549)+H(24)=S(2099) 2.920e+13 0.180 0.124 ! Reaction index: Chemkin #696; RMG #104037 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H2/Cs;H_rad) S(2083)+H(24)=S(2099) 1.000e+14 0.000 0.000 ! Reaction index: Chemkin #697; RMG #106175 ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CsH_Cds-CsCs;HJ) C8H14(539)+H(24)=C8H15(104) 1.690e+08 1.640 0.850 ! Reaction index: Chemkin #698; RMG #106176 ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-HH_Cds-CsCs;HJ) ! Multiplied by reaction path degeneracy 2 C8H14(124)+H(24)=C8H15(104) 5.760e+08 1.640 -0.010 ! Reaction index: Chemkin #699; RMG #108753 ! Template reaction: R_Recombination ! Estimated using template (Cs_rad;H_rad) for rate rule (C_rad/Cs3;H_rad) C8H15(104)+H(24)=S(8546) 5.000e+13 0.000 0.000 ! Reaction index: Chemkin #700; RMG #110847 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H/CdCd;H_rad) C8H13(506)+H(24)=C8H14(539) 2.000e+13 0.000 0.000 ! Reaction index: Chemkin #701; RMG #110849 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H2/Cd;H_rad) C8H13(150)+H(24)=C8H14(539) 2.920e+13 0.180 0.124 ! Reaction index: Chemkin #702; RMG #118013 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H2/Cd;H_rad) ! Multiplied by reaction path degeneracy 2 C8H12(514)+H(24)=C8H13(506) 5.840e+13 0.180 0.124 ! Reaction index: Chemkin #703; RMG #118022 ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-HH_Cds-CdCs;HJ) ! Multiplied by reaction path degeneracy 2 C8H12(521)+H(24)=C8H13(506) 5.160e+08 1.640 -0.720 ! Reaction index: Chemkin #704; RMG #128364 ! Template reaction: R_Recombination ! Estimated using template (C_rad/H/OneDeC;H_rad) for rate rule (C_rad/H/CdCs;H_rad) S(10047)+H(24)=C8H12(735) 2.920e+13 0.180 0.124 ! Reaction index: Chemkin #705; RMG #142382 ! Template reaction: R_Recombination ! Estimated using template (H_rad;SJ) for rate rule (H_rad;SsJ-Ss) H(24)+HS2(25)=HSSH(17) 7.070e+12 0.560 -0.080 ! Reaction index: Chemkin #706; RMG #142412 ! Template reaction: SubstitutionS ! S-Cs(HHH)H;SsJ-HExact match found for rate rule (S-CsH;SsJ-H) C4H9S(14)+HSJ(16)=H(24)+C4H9S2(80) 7.520e+01 3.300 22.100 ! Reaction index: Chemkin #707; RMG #132924 ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-CdH_Cds-CdCs;HJ) ! Multiplied by reaction path degeneracy 4 S(10431)+H(24)=S(10047) 7.240e+08 1.640 0.670 ! Reaction index: Chemkin #708; RMG #132963 ! Template reaction: Disproportionation ! Estimated using template (Y_2centerbirad;XH_Rrad) for rate rule (S2b;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 8 S(10047)+S2JJ(13)=HS2(25)+S(10431) 2.761e+13 -0.400 3.819 ! Reaction index: Chemkin #709; RMG #132986 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cs;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C4H9S(14)=C4H9SH(4)+S(10431) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #710; RMG #133023 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C4H9SJ(15)=C4H9SH(4)+S(10431) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #711; RMG #133042 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_pri_rad;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+HSJ(16)=H2S(2)+S(10431) 1.626e+08 1.043 -1.400 ! Reaction index: Chemkin #712; RMG #133178 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs3;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C4H9(20)=C4H10(5)+S(10431) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #713; RMG #133201 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cs;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H17S(23)=DTBS(1)+S(10431) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #714; RMG #133252 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C4H7(33)=C4H8(3)+S(10431) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #715; RMG #133747 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H13(150)=C8H14(539)+S(10431) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #716; RMG #133759 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H13(150)=C8H14(124)+S(10431) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #717; RMG #133853 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs3;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H13(441)=C8H14(443)+S(10431) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #718; RMG #134004 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H13(744)=C8H14(443)+S(10431) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #719; RMG #134090 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/NonDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H13(739)=C8H14(443)+S(10431) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #720; RMG #134183 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cs;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H13(741)=C8H14(443)+S(10431) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #721; RMG #134333 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs3;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+S(1368)=S(1507)+S(10431) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #722; RMG #134528 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H13(742)=C8H14(443)+S(10431) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #723; RMG #134582 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H13(740)=C8H14(443)+S(10431) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #724; RMG #134751 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+S(1549)=S(2099)+S(10431) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #725; RMG #134794 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cs;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+S(2083)=S(2099)+S(10431) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #726; RMG #134947 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs2;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+S(2082)=S(2099)+S(10431) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #727; RMG #135655 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeS;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+HS2(25)=HSSH(17)+S(10431) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #728; RMG #137718 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs3;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H15(104)=S(8546)+S(10431) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #729; RMG #137977 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H13(506)=C8H14(539)+S(10431) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #730; RMG #138046 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 4 S(10047)+C8H12(514)=C8H13(506)+S(10431) 4.018e+12 0.000 -0.043 ! Reaction index: Chemkin #731; RMG #138050 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C8H12(514)=C8H13(150)+S(10431) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #732; RMG #138168 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+S(10047)=C8H12(735)+S(10431) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #733; RMG #142914 ! Template reaction: Diels_alder_addition ! Estimated using template (diene_out;diene_in;ene) for rate rule (diene_disub_disub_out;diene_in_2H;ene_Nd2_2H) ! Multiplied by reaction path degeneracy 16 S(10431)+C4H8(3)=S(11191) 8.000e+10 0.000 20.000 ! Reaction index: Chemkin #734; RMG #60381 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H/CdCd;H_rad) S(5433)+H(24)=S(525) 2.000e+13 0.000 0.000 ! Reaction index: Chemkin #735; RMG #60391 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H/TwoDe;S_Srad) ! Ea raised from 5.4 to 6.0 kJ/mol to match endothermicity of reaction. S(5433)+HS2(25)=S(525)+S2(12) 1.162e+12 0.029 1.444 ! Reaction index: Chemkin #736; RMG #60396 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H/CdCd) HS2(25)+S(5433)=S(525)+S2JJ(13) 1.606e+04 2.560 9.619 ! Reaction index: Chemkin #737; RMG #60406 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 S(525)+C4H9S(14)=C4H9SH(4)+S(5433) 2.440e-03 4.340 1.000 ! Reaction index: Chemkin #738; RMG #60419 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H/CdCd) ! Ea raised from 62.9 to 64.4 kJ/mol to match endothermicity of reaction. C4H9SH(4)+S(5433)=S(525)+C4H9SJ(15) 3.810e+02 3.060 15.390 ! Reaction index: Chemkin #739; RMG #60427 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H/CdCd) ! Multiplied by reaction path degeneracy 2 H2S(2)+S(5433)=S(525)+HSJ(16) 3.180e+02 3.060 17.503 ! Reaction index: Chemkin #740; RMG #60443 ! Template reaction: Disproportionation ! C_rad/H/TwoDe;Cmethyl_Csrad/H/CdExact match found for rate rule (C_rad/H/TwoDe;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 S(5433)+C4H9(20)=S(525)+C4H8(3) 4.500e+11 0.000 0.000 ! Reaction index: Chemkin #741; RMG #60497 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 S(525)+C4H9(20)=C4H10(5)+S(5433) 1.916e-03 4.340 -2.500 ! Reaction index: Chemkin #742; RMG #60513 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 S(525)+C8H17S(23)=DTBS(1)+S(5433) 2.440e-03 4.340 1.000 ! Reaction index: Chemkin #743; RMG #60545 ! Template reaction: H_Abstraction ! Estimated using template (C/H2/CdCd;C_rad/H2/Cd) for rate rule (C/H2/CdCd;C_rad/H2/Cd\Cs_Cd\H2) ! Multiplied by reaction path degeneracy 2 S(525)+C4H7(33)=C4H8(3)+S(5433) 3.860e-03 4.340 6.700 ! Reaction index: Chemkin #744; RMG #60590 ! Template reaction: Disproportionation ! C_rad/H/TwoDe;Cmethyl_Csrad/H/CdExact match found for rate rule (C_rad/H/TwoDe;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(5433)+C8H15(104)=S(525)+C8H14(124) 3.000e+11 0.000 0.000 ! Reaction index: Chemkin #745; RMG #60891 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 S(525)+C8H13(150)=C8H14(539)+S(5433) 3.860e-03 4.340 6.700 ! Reaction index: Chemkin #746; RMG #60911 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 S(525)+C8H13(150)=C8H14(124)+S(5433) 1.962e-03 4.340 6.300 ! Reaction index: Chemkin #747; RMG #60959 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/TwoDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 S(5433)+C8H14(154)=S(525)+C8H13(441) 1.552e+13 0.000 0.360 ! Reaction index: Chemkin #748; RMG #60988 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 S(525)+C8H13(441)=C8H14(443)+S(5433) 1.916e-03 4.340 -2.500 ! Reaction index: Chemkin #749; RMG #61092 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 S(525)+C8H13(744)=C8H14(443)+S(5433) 3.860e-03 4.340 6.700 ! Reaction index: Chemkin #750; RMG #61169 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 2 S(525)+C8H13(739)=C8H14(443)+S(5433) 2.320e-03 4.340 -0.400 ! Reaction index: Chemkin #751; RMG #61234 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 S(525)+C8H13(741)=C8H14(443)+S(5433) 2.440e-03 4.340 1.000 ! Reaction index: Chemkin #752; RMG #61338 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 S(525)+S(1368)=S(1507)+S(5433) 1.916e-03 4.340 -2.500 ! Reaction index: Chemkin #753; RMG #61479 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 S(525)+C8H13(742)=C8H14(443)+S(5433) 1.962e-03 4.340 6.300 ! Reaction index: Chemkin #754; RMG #61517 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 S(525)+C8H13(740)=C8H14(443)+S(5433) 1.962e-03 4.340 6.300 ! Reaction index: Chemkin #755; RMG #61655 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 S(525)+S(1549)=S(2099)+S(5433) 1.962e-03 4.340 6.300 ! Reaction index: Chemkin #756; RMG #61689 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 2 S(525)+S(2083)=S(2099)+S(5433) 2.440e-03 4.340 1.000 ! Reaction index: Chemkin #757; RMG #61800 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/CdCs2) ! Multiplied by reaction path degeneracy 2 S(525)+S(2082)=S(2099)+S(5433) 2.500e-04 4.340 4.600 ! Reaction index: Chemkin #758; RMG #62258 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCd) ! Multiplied by reaction path degeneracy 2 HSSH(17)+S(5433)=S(525)+HS2(25) 2.640e+02 3.060 6.200 ! Reaction index: Chemkin #759; RMG #108096 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 2 C8H15(104)+S(525)=S(8546)+S(5433) 1.916e-03 4.340 -2.500 ! Reaction index: Chemkin #760; RMG #112813 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/TwoDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 S(5433)+C8H15(104)=C8H14(539)+S(525) 3.880e+12 0.000 0.360 ! Reaction index: Chemkin #761; RMG #121855 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/CdCd) ! Multiplied by reaction path degeneracy 2 C8H13(506)+S(525)=C8H14(539)+S(5433) 7.820e-04 4.340 8.900 ! Reaction index: Chemkin #762; RMG #123335 ! Template reaction: 1,4_Linear_birad_scission ! Exact match found for rate rule (RJJ) ! Multiplied by reaction path degeneracy 2 ! Ea raised from 0.0 to 65.8 kJ/mol to match endothermicity of reaction. S(5433)=C8H12(521)+S2(12) 1.000e+13 0.000 15.734 ! Reaction index: Chemkin #763; RMG #123340 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cd_R;SJ) for rate rule (Cds-HH_Cds-CdCs;SJ) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -1.0 to 2.7 kJ/mol to match endothermicity of reaction. C8H12(521)+S2JJ(13)=S(5433) 3.225e+04 2.507 0.649 ! Reaction index: Chemkin #764; RMG #124664 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 S(5433)+C8H13(150)=C8H12(521)+S(525) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #765; RMG #124669 ! Template reaction: Disproportionation ! C_rad/H/TwoDe;Cmethyl_Csrad/H/CdExact match found for rate rule (C_rad/H/TwoDe;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(5433)+C8H13(506)=C8H12(521)+S(525) 3.000e+11 0.000 0.000 ! Reaction index: Chemkin #766; RMG #125262 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdHH) ! Multiplied by reaction path degeneracy 4 C8H12(514)+S2(12)=S(5433) 2.585e+03 2.978 -0.089 ! Reaction index: Chemkin #767; RMG #125272 ! Template reaction: R_Recombination ! Estimated using template (C_pri_rad;SJ) for rate rule (C_rad/H2/Cd;SJ) ! Multiplied by reaction path degeneracy 4 C8H12(514)+S2JJ(13)=S(5433) 3.576e+08 1.540 -1.320 ! Reaction index: Chemkin #768; RMG #128377 ! Template reaction: intra_substitutionCS_cyclization ! Estimated using template (XSYJ;YJ;C;S) for rate rule (XSR6J;CsJ-CdHH;C-HHC;S-SJ) S(5433)=C8H12(735)+S2JJ(13) 1.000e+12 0.000 50.000 ! Reaction index: Chemkin #769; RMG #129389 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Csec_Rrad) for rate rule (C_rad/H/TwoDe;C/H/NdMd_Csrad/H/Cd) S(5433)+C8H13(740)=C8H12(735)+S(525) 2.560e+13 -0.350 0.000 ! Reaction index: Chemkin #770; RMG #129394 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(5433)+C8H13(441)=C8H12(735)+S(525) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #771; RMG #129888 ! Template reaction: intra_substitutionCS_cyclization ! Estimated using template (XSYJ;YJ;C;S) for rate rule (XSR4J_DS;CsJ-CdCdH;C-HHC;S-SJ) S(5433)=S(9808)+S2JJ(13) 1.000e+12 0.000 50.000 ! Reaction index: Chemkin #772; RMG #136569 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 2 S(10047)+S(525)=C8H12(735)+S(5433) 1.962e-03 4.340 6.300 ! Reaction index: Chemkin #773; RMG #143747 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cpri_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(5433)+S(10047)=S(10431)+S(525) 2.530e+08 1.000 0.238 ! Reaction index: Chemkin #774; RMG #142913 ! Template reaction: Diels_alder_addition ! Estimated using template (diene_out;diene_in;ene) for rate rule (diene_monosubDe_monosubDe_out;diene_in_NdH;ene_Nd2_2H) ! Multiplied by reaction path degeneracy 8 S(10431)+C4H8(3)=S(11190) 4.000e+10 0.000 20.000 ! Reaction index: Chemkin #775; RMG #118043 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdCsCs) ! Multiplied by reaction path degeneracy 2 C8H13(506)+S2(12)=S(9210) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #776; RMG #118058 ! Template reaction: R_Recombination ! Estimated using template (C_ter_rad;SJ) for rate rule (C_rad/Cs2;SJ) ! Multiplied by reaction path degeneracy 2 C8H13(506)+S2JJ(13)=S(9210) 1.187e+09 1.395 -1.030 ! Reaction index: Chemkin #777; RMG #118041 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdCdH) ! Multiplied by reaction path degeneracy 2 C8H13(506)+S2(12)=S(9208) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #778; RMG #118055 ! Template reaction: R_Recombination ! Estimated using template (Cs_rad;S_rad) for rate rule (C_rad/H/CdCd;SJ) ! Multiplied by reaction path degeneracy 2 C8H13(506)+S2JJ(13)=S(9208) 6.316e+08 1.443 -1.127 ! Reaction index: Chemkin #779; RMG #146389 ! Template reaction: Birad_recombination ! Estimated using template (Rn;Y_rad_out;Ypri_rad_out) for rate rule (R8;C_rad_out_2H;Spri_rad) ! Multiplied by reaction path degeneracy 2 S(5433)=S(11384) 5.773e+12 0.019 1.585 ! Reaction index: Chemkin #780; RMG #146412 ! Template reaction: Birad_recombination ! Estimated using template (Rn;Y_rad_out;Ypri_rad_out) for rate rule (R6_SSSDS;S_rad;Cpri_rad_out_H/OneDe) ! Multiplied by reaction path degeneracy 2 S(5433)=S(11398) 5.773e+12 0.019 1.585 ! Reaction index: Chemkin #781; RMG #146429 ! Template reaction: Birad_recombination ! Estimated using template (Rn;Y_rad_out;Ypri_rad_out) for rate rule (R4_SSS;C_rad_out_OneDe/Cs;Spri_rad) ! Multiplied by reaction path degeneracy 2 S(5433)=S(11414) 5.773e+12 0.019 1.585 ! Reaction index: Chemkin #782; RMG #118035 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_R;CsJ-CdHH) ! Multiplied by reaction path degeneracy 2 C8H13(506)+S2(12)=S(9203) 1.293e+03 2.978 -0.089 ! Reaction index: Chemkin #783; RMG #118051 ! Template reaction: R_Recombination ! Estimated using template (C_pri_rad;SJ) for rate rule (C_rad/H2/Cd;SJ) ! Multiplied by reaction path degeneracy 2 C8H13(506)+S2JJ(13)=S(9203) 1.788e+08 1.540 -1.320 ! Reaction index: Chemkin #784; RMG #146490 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 S(5433)+HSSH(17)=S(9203)+HS2(25) 2.880e+02 3.060 1.400 ! Reaction index: Chemkin #785; RMG #146497 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 6 S(9203)+C8H17S(23)=S(5433)+DTBS(1) 1.740e-03 4.340 5.000 ! Reaction index: Chemkin #786; RMG #146502 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S_pri;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 S(5433)+H2S(2)=S(9203)+HSJ(16) 2.420e+02 3.060 10.303 ! Reaction index: Chemkin #787; RMG #146523 ! Template reaction: H_Abstraction ! Estimated using template (C/H3/Cd;C_rad/H2/Cd) for rate rule (C/H3/Cd;C_rad/H2/Cd\Cs_Cd\H2) ! Multiplied by reaction path degeneracy 6 S(9203)+C4H7(33)=S(5433)+C4H8(3) 8.700e-03 4.340 13.600 ! Reaction index: Chemkin #788; RMG #146564 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 6 S(9203)+C4H9S(14)=S(5433)+C4H9SH(4) 1.740e-03 4.340 5.000 ! Reaction index: Chemkin #789; RMG #146565 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeC;C_rad/H2/Cd) ! Ea raised from 32.7 to 33.5 kJ/mol to match endothermicity of reaction. S(5433)+C4H9SH(4)=S(9203)+C4H9SJ(15) 2.170e+02 3.060 8.016 ! Reaction index: Chemkin #790; RMG #146576 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 6 S(9203)+C4H9(20)=S(5433)+C4H10(5) 2.028e-03 4.340 3.700 ! Reaction index: Chemkin #791; RMG #146585 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 S(5433)+C4H9(20)=S(9203)+C4H8(3) 2.061e+14 -0.350 -0.130 ! Reaction index: Chemkin #792; RMG #146765 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 6 S(9203)+C8H13(150)=S(5433)+C8H14(124) 5.382e-03 4.340 14.300 ! Reaction index: Chemkin #793; RMG #147071 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 S(5433)+C8H14(154)=S(9203)+C8H13(441) 1.160e+13 0.000 -0.130 ! Reaction index: Chemkin #794; RMG #147218 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 S(5433)+C8H13(150)=S(9203)+C8H12(521) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #795; RMG #147324 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(5433)+C8H13(441)=S(9203)+C8H12(735) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #796; RMG #148226 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H2/Cd;C/H/NdNd_Csrad) for rate rule (C_rad/H2/Cd;C/H/NdMd_Csrad/H/Cd) S(5433)+C8H13(740)=S(9203)+C8H12(735) 7.830e+11 0.000 -0.130 ! Reaction index: Chemkin #797; RMG #149171 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 6 S(9203)+C8H13(441)=S(5433)+C8H14(443) 2.028e-03 4.340 3.700 ! Reaction index: Chemkin #798; RMG #149172 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H/NonDeC) ! Multiplied by reaction path degeneracy 6 S(9203)+C8H13(739)=S(5433)+C8H14(443) 2.016e-03 4.340 4.700 ! Reaction index: Chemkin #799; RMG #149173 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 6 S(9203)+C8H13(740)=S(5433)+C8H14(443) 5.382e-03 4.340 14.300 ! Reaction index: Chemkin #800; RMG #149174 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 6 S(9203)+C8H13(742)=S(5433)+C8H14(443) 5.382e-03 4.340 14.300 ! Reaction index: Chemkin #801; RMG #149176 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 6 S(9203)+C8H13(741)=S(5433)+C8H14(443) 1.740e-03 4.340 5.000 ! Reaction index: Chemkin #802; RMG #149177 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 6 S(9203)+C8H13(744)=S(5433)+C8H14(443) 8.700e-03 4.340 13.600 ! Reaction index: Chemkin #803; RMG #149255 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 6 S(9203)+S(1368)=S(5433)+S(1507) 2.028e-03 4.340 3.700 ! Reaction index: Chemkin #804; RMG #149569 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/H2/Cd;S_Srad) S(5433)+HS2(25)=S(9203)+S2(12) 1.162e+12 0.029 1.299 ! Reaction index: Chemkin #805; RMG #149577 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;C_rad/H2/Cd) S(5433)+HS2(25)=S(9203)+S2JJ(13) 1.606e+04 2.560 9.540 ! Reaction index: Chemkin #806; RMG #150503 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 S(5433)+S(525)=S(9203)+S(5433) 3.860e-03 4.340 6.700 ! Reaction index: Chemkin #807; RMG #151656 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/CdCs2) ! Multiplied by reaction path degeneracy 6 S(9203)+S(2082)=S(5433)+S(2099) 8.400e-04 4.340 13.600 ! Reaction index: Chemkin #808; RMG #151659 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H/CdCs) ! Multiplied by reaction path degeneracy 6 S(9203)+S(1549)=S(5433)+S(2099) 5.382e-03 4.340 14.300 ! Reaction index: Chemkin #809; RMG #151661 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cs) ! Multiplied by reaction path degeneracy 6 S(9203)+S(2083)=S(5433)+S(2099) 1.740e-03 4.340 5.000 ! Reaction index: Chemkin #810; RMG #151693 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 S(5433)+C8H15(104)=S(9203)+C8H14(539) 2.900e+12 0.000 -0.130 ! Reaction index: Chemkin #811; RMG #151694 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(5433)+C8H15(104)=S(9203)+C8H14(124) 1.374e+14 -0.350 -0.130 ! Reaction index: Chemkin #812; RMG #151783 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/Cs3) ! Multiplied by reaction path degeneracy 6 S(9203)+C8H15(104)=S(5433)+S(8546) 2.028e-03 4.340 3.700 ! Reaction index: Chemkin #813; RMG #151844 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 2 S(5433)+C8H14(539)=S(9203)+C8H13(506) 3.860e-03 4.340 6.700 ! Reaction index: Chemkin #814; RMG #151846 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H3/Cd;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 6 S(9203)+C8H13(150)=S(5433)+C8H14(539) 8.700e-03 4.340 13.600 ! Reaction index: Chemkin #815; RMG #152029 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(5433)+C8H13(506)=S(9203)+C8H12(521) 1.374e+14 -0.350 -0.130 ! Reaction index: Chemkin #816; RMG #152176 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;C_rad/H2/Cd) ! Multiplied by reaction path degeneracy 4 S(5433)+C8H12(735)=S(9203)+S(10047) 1.808e-02 4.340 11.200 ! Reaction index: Chemkin #817; RMG #152289 ! Template reaction: Disproportionation ! Estimated using template (C_pri_rad;Cpri_Rrad) for rate rule (C_rad/H2/Cd;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(5433)+S(10047)=S(9203)+S(10431) 2.009e+12 0.000 -0.043 ! Reaction index: Chemkin #818; RMG #152409 ! Template reaction: R_Recombination ! Exact match found for rate rule (C_rad/H2/Cd;H_rad) S(5433)+H(24)=S(9203) 2.920e+13 0.180 0.124 ! Reaction index: Chemkin #819; RMG #170773 ! Template reaction: intra_H_migration ! Exact match found for rate rule (R5H_SSSS;C_rad_out_2H;S_H_out) S(11955)=S(9203) 2.210e+10 0.214 2.040 ! Reaction index: Chemkin #820; RMG #174326 ! Template reaction: intra_H_migration ! Estimated using template (R5Hall;C_rad_out_single;S_H_out) for rate rule (R5H_SSSS;C_rad_out_H/OneDe;S_H_out) S(11955)=S(12040) 2.210e+10 0.214 2.040 ! Reaction index: Chemkin #821; RMG #31 ! Template reaction: 1,4_Linear_birad_scission ! Exact match found for rate rule (RJJ) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)=C4H8(3)+S2(12) 1.000e+13 0.000 0.000 ! Reaction index: Chemkin #822; RMG #34 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cd_R;SJ) for rate rule (Cds-HH_Cds-CsCs;SJ) ! Multiplied by reaction path degeneracy 2 ! Ea raised from -1.0 to 79.3 kJ/mol to match endothermicity of reaction. C4H8(3)+S2JJ(13)=C4H8S2(35) 1.612e+04 2.507 18.943 ! Reaction index: Chemkin #823; RMG #35814 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H17S(23)+C4H8S2(35)=C4H7S2(90)+DTBS(1) 1.380e+14 -0.350 0.000 ! Reaction index: Chemkin #824; RMG #35825 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H7(33)+C4H8S2(35)=C4H7S2(90)+C4H8(3) 1.374e+14 -0.350 -0.130 ! Reaction index: Chemkin #825; RMG #35838 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H9S(14)+C4H8S2(35)=C4H7S2(90)+C4H9SH(4) 1.380e+14 -0.350 0.000 ! Reaction index: Chemkin #826; RMG #35914 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(150)+C4H8S2(35)=C4H7S2(90)+C8H14(124) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #827; RMG #36093 ! Template reaction: Disproportionation ! C_rad/H/TwoDe;Cmethyl_Csrad/H/CdExact match found for rate rule (C_rad/H/TwoDe;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H12(514)+C4H8S2(35)=C4H7S2(90)+C8H13(150) 3.000e+11 0.000 0.000 ! Reaction index: Chemkin #828; RMG #37247 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H/NonDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(739)+C4H8S2(35)=C4H7S2(90)+C8H14(443) 1.266e+15 -0.700 0.000 ! Reaction index: Chemkin #829; RMG #37248 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(740)+C4H8S2(35)=C4H7S2(90)+C8H14(443) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #830; RMG #37249 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(742)+C4H8S2(35)=C4H7S2(90)+C8H14(443) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #831; RMG #37250 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(741)+C4H8S2(35)=C4H7S2(90)+C8H14(443) 1.380e+14 -0.350 0.000 ! Reaction index: Chemkin #832; RMG #37251 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(744)+C4H8S2(35)=C4H7S2(90)+C8H14(443) 1.374e+14 -0.350 -0.130 ! Reaction index: Chemkin #833; RMG #37409 ! Template reaction: Disproportionation ! Estimated using template (Y_2centerbirad;XH_Rrad) for rate rule (S2b;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 24 S2JJ(13)+C4H8S2(35)=C4H7S2(90)+HS2(25) 8.282e+13 -0.400 3.819 ! Reaction index: Chemkin #834; RMG #62266 ! Template reaction: Disproportionation ! C_rad/H/TwoDe;Cmethyl_Csrad/H/CdExact match found for rate rule (C_rad/H/TwoDe;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(5433)+C4H8S2(35)=S(525)+C4H7S2(90) 3.000e+11 0.000 0.000 ! Reaction index: Chemkin #835; RMG #95360 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H17S(23)+C4H8S2(35)=S(6410)+DTBS(1) 2.900e+12 0.000 0.000 ! Reaction index: Chemkin #836; RMG #95367 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C4H7(33)+C4H8S2(35)=S(6410)+C4H8(3) 2.900e+12 0.000 -0.130 ! Reaction index: Chemkin #837; RMG #95380 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C4H9S(14)+C4H8S2(35)=S(6410)+C4H9SH(4) 2.900e+12 0.000 0.000 ! Reaction index: Chemkin #838; RMG #95444 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(150)+C4H8S2(35)=S(6410)+C8H14(124) 1.526e+12 0.000 -0.550 ! Reaction index: Chemkin #839; RMG #95592 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/TwoDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H12(514)+C4H8S2(35)=S(6410)+C8H13(150) 3.880e+12 0.000 0.360 ! Reaction index: Chemkin #840; RMG #96607 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H/NonDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(739)+C4H8S2(35)=S(6410)+C8H14(443) 1.026e+14 -0.350 0.000 ! Reaction index: Chemkin #841; RMG #96608 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(740)+C4H8S2(35)=S(6410)+C8H14(443) 1.526e+12 0.000 -0.550 ! Reaction index: Chemkin #842; RMG #96609 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(742)+C4H8S2(35)=S(6410)+C8H14(443) 1.526e+12 0.000 -0.550 ! Reaction index: Chemkin #843; RMG #96610 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(741)+C4H8S2(35)=S(6410)+C8H14(443) 2.900e+12 0.000 0.000 ! Reaction index: Chemkin #844; RMG #96611 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(744)+C4H8S2(35)=S(6410)+C8H14(443) 2.900e+12 0.000 -0.130 ! Reaction index: Chemkin #845; RMG #96764 ! Template reaction: Disproportionation ! Estimated using template (Y_2centerbirad;XH_Rrad) for rate rule (S2b;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 S2JJ(13)+C4H8S2(35)=S(6410)+HS2(25) 2.761e+13 -0.400 3.819 ! Reaction index: Chemkin #846; RMG #97033 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/TwoDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 S(5433)+C4H8S2(35)=S(6410)+S(525) 3.880e+12 0.000 0.360 ! Reaction index: Chemkin #847; RMG #105219 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(1549)+C4H8S2(35)=S(2099)+C4H7S2(90) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #848; RMG #105221 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(2083)+C4H8S2(35)=S(2099)+C4H7S2(90) 1.380e+14 -0.350 0.000 ! Reaction index: Chemkin #849; RMG #106051 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 S(1549)+C4H8S2(35)=S(2099)+S(6410) 1.526e+12 0.000 -0.550 ! Reaction index: Chemkin #850; RMG #106053 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cs;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 S(2083)+C4H8S2(35)=S(2099)+S(6410) 2.900e+12 0.000 0.000 ! Reaction index: Chemkin #851; RMG #112320 ! Template reaction: Disproportionation ! C_rad/H/TwoDe;Cmethyl_Csrad/H/CdExact match found for rate rule (C_rad/H/TwoDe;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(506)+C4H8S2(35)=C8H14(539)+C4H7S2(90) 3.000e+11 0.000 0.000 ! Reaction index: Chemkin #852; RMG #112322 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C8H13(150)+C4H8S2(35)=C8H14(539)+C4H7S2(90) 1.374e+14 -0.350 -0.130 ! Reaction index: Chemkin #853; RMG #113299 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/TwoDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/TwoDe;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(506)+C4H8S2(35)=C8H14(539)+S(6410) 3.880e+12 0.000 0.360 ! Reaction index: Chemkin #854; RMG #113301 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C8H13(150)+C4H8S2(35)=C8H14(539)+S(6410) 2.900e+12 0.000 -0.130 ! Reaction index: Chemkin #855; RMG #120920 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 12 C8H12(514)+C4H8S2(35)=C8H13(506)+C4H7S2(90) 2.748e+14 -0.350 -0.130 ! Reaction index: Chemkin #856; RMG #122764 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 4 C8H12(514)+C4H8S2(35)=C8H13(506)+S(6410) 5.800e+12 0.000 -0.130 ! Reaction index: Chemkin #857; RMG #129136 ! Template reaction: Disproportionation ! Estimated using template (C_sec_rad;Cmethyl_Rrad) for rate rule (C_rad/H/OneDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(10047)+C4H8S2(35)=C8H12(735)+C4H7S2(90) 1.949e+13 -0.350 0.000 ! Reaction index: Chemkin #858; RMG #129649 ! Template reaction: Disproportionation ! Estimated using template (C_rad/H/OneDe;C/H2/Nd_Rrad) for rate rule (C_rad/H/OneDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 S(10047)+C4H8S2(35)=C8H12(735)+S(6410) 1.526e+12 0.000 -0.550 ! Reaction index: Chemkin #859; RMG #142384 ! Template reaction: R_Addition_MultipleBond ! Exact match found for rate rule (Cds-HH_Cds-CsCs;HJ) H(24)+C4H7S2(90)=C4H8S2(35) 2.880e+08 1.640 -0.010 ! Reaction index: Chemkin #860; RMG #142715 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds;HJ) for rate rule (Cds-SsH_Cds;HJ) H(24)+S(6410)=C4H8S2(35) 2.136e+10 0.856 3.089 ! Reaction index: Chemkin #861; RMG #172462 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(5433)+C4H8S2(35)=S(9203)+C4H7S2(90) 1.374e+14 -0.350 -0.130 ! Reaction index: Chemkin #862; RMG #173474 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/H2/Cd;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 S(5433)+C4H8S2(35)=S(9203)+S(6410) 2.900e+12 0.000 -0.130 ! Reaction index: Chemkin #863; RMG #184178 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeC;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+C4H9SJ(15)=C4H9SH(4)+S(6410) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #864; RMG #184179 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cmethyl_Rrad) for rate rule (S_rad/NonDeC;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H8S2(35)+C4H9SJ(15)=C4H9SH(4)+C4H7S2(90) 5.874e+12 0.000 0.000 ! Reaction index: Chemkin #865; RMG #184183 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_pri_rad;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+HSJ(16)=H2S(2)+S(6410) 1.626e+08 1.043 -1.400 ! Reaction index: Chemkin #866; RMG #184184 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_pri_rad;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H8S2(35)+HSJ(16)=H2S(2)+C4H7S2(90) 4.877e+08 1.043 -1.400 ! Reaction index: Chemkin #867; RMG #184216 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+C4H9(20)=C4H10(5)+S(6410) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #868; RMG #184217 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H8S2(35)+C4H9(20)=C4H10(5)+C4H7S2(90) 1.716e+16 -1.100 0.000 ! Reaction index: Chemkin #869; RMG #184440 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+C8H13(441)=C8H14(443)+S(6410) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #870; RMG #184441 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H8S2(35)+C8H13(441)=C8H14(443)+C4H7S2(90) 1.716e+16 -1.100 0.000 ! Reaction index: Chemkin #871; RMG #184698 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+S(1368)=S(1507)+S(6410) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #872; RMG #184699 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H8S2(35)+S(1368)=S(1507)+C4H7S2(90) 1.716e+16 -1.100 0.000 ! Reaction index: Chemkin #873; RMG #185022 ! Template reaction: Disproportionation ! Estimated using template (C_ter_rad;Cpri_Rrad) for rate rule (C_rad/Cs2;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+S(2082)=S(2099)+S(6410) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #874; RMG #185023 ! Template reaction: Disproportionation ! Estimated using template (Cs_rad;XH_s_Rrad) for rate rule (C_rad/Cs2;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H8S2(35)+S(2082)=S(2099)+C4H7S2(90) 6.970e+12 0.029 1.299 ! Reaction index: Chemkin #875; RMG #185362 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeS;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+HS2(25)=HSSH(17)+S(6410) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #876; RMG #185363 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cmethyl_Rrad) for rate rule (S_rad/NonDeS;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H8S2(35)+HS2(25)=HSSH(17)+C4H7S2(90) 5.874e+12 0.000 0.000 ! Reaction index: Chemkin #877; RMG #186002 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+C8H15(104)=S(8546)+S(6410) 4.320e+14 -0.750 0.000 ! Reaction index: Chemkin #878; RMG #186003 ! Template reaction: Disproportionation ! Exact match found for rate rule (C_rad/Cs3;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H8S2(35)+C8H15(104)=S(8546)+C4H7S2(90) 1.716e+16 -1.100 0.000 ! Reaction index: Chemkin #879; RMG #554 ! Template reaction: SubstitutionS ! S-Cs(HHH)H;SsJ-HExact match found for rate rule (S-CsH;SsJ-H) ! Ea raised from 99.1 to 99.1 kJ/mol to match endothermicity of reaction. C4H9S(45)+HSJ(16)=S(203)+H(24) 7.520e+01 3.300 23.694 ! Reaction index: Chemkin #880; RMG #977 ! Template reaction: SubstitutionS ! S-Cs(HHH)Cs(HHH);SsJ-HExact match found for rate rule (S-CsCs;SsJ-H) C8H17S(44)+HSJ(16)=S(203)+C4H9(20) 1.770e+03 3.030 12.900 ! Reaction index: Chemkin #881; RMG #35060 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds-HH_Cds;SsJ-Ss) for rate rule (Cds-HH_Cds-CsCs;SsJ-Ss) HS2(25)+C4H8(3)=S(203) 4.210e+00 3.300 7.400 ! Reaction index: Chemkin #882; RMG #40634 ! Template reaction: intra_substitutionS_isomerization ! Estimated using template (XSYJ;YJ;S-RR) for rate rule (XSR3J_S;CsJ-3-CsHH;S-Ss(H)C) C4H9S2(80)=S(203) 3.078e+11 0.160 26.900 ! Reaction index: Chemkin #883; RMG #184189 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;S_rad/NonDeS) S(203)+HS2(25)=C4H8S2(35)+HSSH(17) 1.130e+02 3.150 0.400 ! Reaction index: Chemkin #884; RMG #184191 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cs) S(203)+C8H17S(23)=C4H8S2(35)+DTBS(1) 3.630e+01 3.060 -3.000 ! Reaction index: Chemkin #885; RMG #184193 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;S_pri_rad) S(203)+HSJ(16)=C4H8S2(35)+H2S(2) 1.440e+03 3.150 -2.400 ! Reaction index: Chemkin #886; RMG #184204 ! Template reaction: H_Abstraction ! Estimated using template (S/H/NonDeS;C_rad/H2/Cd) for rate rule (S/H/NonDeS;C_rad/H2/Cd\Cs_Cd\H2) S(203)+C4H7(33)=C4H8S2(35)+C4H8(3) 1.440e+02 3.060 1.400 ! Reaction index: Chemkin #887; RMG #184208 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cs) S(203)+C4H9S(14)=C4H8S2(35)+C4H9SH(4) 3.630e+01 3.060 -3.000 ! Reaction index: Chemkin #888; RMG #184209 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;S_rad/NonDeC) S(203)+C4H9SJ(15)=C4H8S2(35)+C4H9SH(4) 6.170e+02 3.150 -2.300 ! Reaction index: Chemkin #889; RMG #184212 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/Cs3) S(203)+C4H9(20)=C4H8S2(35)+C4H10(5) 4.600e+02 3.060 -6.400 ! Reaction index: Chemkin #890; RMG #184215 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cmethyl_Rrad) for rate rule (S_rad/NonDeS;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 C4H8S2(35)+C4H9(20)=S(203)+C4H8(3) 8.811e+12 0.000 0.000 ! Reaction index: Chemkin #891; RMG #184261 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCs) S(203)+C8H13(150)=C4H8S2(35)+C8H14(124) 1.760e+02 3.060 1.200 ! Reaction index: Chemkin #892; RMG #184342 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeS;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 C4H8S2(35)+C8H14(154)=S(203)+C8H13(441) 5.752e+00 3.130 -3.650 ! Reaction index: Chemkin #893; RMG #184397 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeS;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+C8H13(150)=S(203)+C8H12(521) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #894; RMG #184438 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeS;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+C8H13(441)=S(203)+C8H12(735) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #895; RMG #184818 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Csec_Rrad) for rate rule (S_rad/NonDeS;C/H/NdMd_Csrad/H/Cd) C4H8S2(35)+C8H13(740)=S(203)+C8H12(735) 7.630e+11 0.000 -0.550 ! Reaction index: Chemkin #896; RMG #185236 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/Cs3) S(203)+C8H13(441)=C4H8S2(35)+C8H14(443) 4.600e+02 3.060 -6.400 ! Reaction index: Chemkin #897; RMG #185237 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/NonDeC) S(203)+C8H13(739)=C4H8S2(35)+C8H14(443) 9.420e+01 3.060 -4.300 ! Reaction index: Chemkin #898; RMG #185238 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCs) S(203)+C8H13(740)=C4H8S2(35)+C8H14(443) 1.760e+02 3.060 1.200 ! Reaction index: Chemkin #899; RMG #185239 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCs) S(203)+C8H13(742)=C4H8S2(35)+C8H14(443) 1.760e+02 3.060 1.200 ! Reaction index: Chemkin #900; RMG #185241 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cs) S(203)+C8H13(741)=C4H8S2(35)+C8H14(443) 3.630e+01 3.060 -3.000 ! Reaction index: Chemkin #901; RMG #185242 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cd) S(203)+C8H13(744)=C4H8S2(35)+C8H14(443) 1.440e+02 3.060 1.400 ! Reaction index: Chemkin #902; RMG #185269 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/Cs3) S(203)+S(1368)=C4H8S2(35)+S(1507) 4.600e+02 3.060 -6.400 ! Reaction index: Chemkin #903; RMG #185361 ! Template reaction: Disproportionation ! Estimated using template (S_rad;XH_s_Rrad) for rate rule (S_rad/NonDeS;S_Srad) ! Ea raised from -5.9 to 12.1 kJ/mol to match endothermicity of reaction. C4H8S2(35)+HS2(25)=S(203)+S2(12) 8.129e+07 1.043 2.894 ! Reaction index: Chemkin #904; RMG #185365 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;S_rad/NonDeS) C4H8S2(35)+HS2(25)=S(203)+S2JJ(13) 1.606e+04 2.560 9.638 ! Reaction index: Chemkin #905; RMG #185636 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCd) S(203)+S(5433)=C4H8S2(35)+S(525) 1.320e+02 3.060 6.200 ! Reaction index: Chemkin #906; RMG #185983 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/CdCs2) S(203)+S(2082)=C4H8S2(35)+S(2099) 3.900e+01 3.060 0.200 ! Reaction index: Chemkin #907; RMG #185986 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCs) S(203)+S(1549)=C4H8S2(35)+S(2099) 1.760e+02 3.060 1.200 ! Reaction index: Chemkin #908; RMG #185988 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cs) S(203)+S(2083)=C4H8S2(35)+S(2099) 3.630e+01 3.060 -3.000 ! Reaction index: Chemkin #909; RMG #186000 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeS;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+C8H15(104)=S(203)+C8H14(539) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #910; RMG #186001 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cmethyl_Rrad) for rate rule (S_rad/NonDeS;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H8S2(35)+C8H15(104)=S(203)+C8H14(124) 5.874e+12 0.000 0.000 ! Reaction index: Chemkin #911; RMG #186037 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/Cs3) S(203)+C8H15(104)=C4H8S2(35)+S(8546) 4.600e+02 3.060 -6.400 ! Reaction index: Chemkin #912; RMG #186062 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCd) S(203)+C8H13(506)=C4H8S2(35)+C8H14(539) 1.320e+02 3.060 6.200 ! Reaction index: Chemkin #913; RMG #186064 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cd) S(203)+C8H13(150)=C4H8S2(35)+C8H14(539) 1.440e+02 3.060 1.400 ! Reaction index: Chemkin #914; RMG #186138 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cmethyl_Rrad) for rate rule (S_rad/NonDeS;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H8S2(35)+C8H13(506)=S(203)+C8H12(521) 5.874e+12 0.000 0.000 ! Reaction index: Chemkin #915; RMG #186214 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H/CdCs) S(203)+S(10047)=C4H8S2(35)+C8H12(735) 1.760e+02 3.060 1.200 ! Reaction index: Chemkin #916; RMG #186280 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeS;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+S(10047)=S(203)+S(10431) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #917; RMG #186342 ! Template reaction: R_Recombination ! Estimated using template (SJ;H_rad) for rate rule (SsJ-Ss;H_rad) C4H8S2(35)+H(24)=S(203) 7.070e+12 0.560 -0.080 ! Reaction index: Chemkin #918; RMG #186532 ! Template reaction: H_Abstraction ! Exact match found for rate rule (S/H/NonDeS;C_rad/H2/Cd) S(203)+S(5433)=C4H8S2(35)+S(9203) 1.440e+02 3.060 1.400 ! Reaction index: Chemkin #919; RMG #186585 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cpri_Rrad) for rate rule (S_rad/NonDeS;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 C4H8S2(35)+C4H8S2(35)=S(203)+S(6410) 1.438e+00 3.130 -3.650 ! Reaction index: Chemkin #920; RMG #186586 ! Template reaction: Disproportionation ! Estimated using template (S_sec_rad;Cmethyl_Rrad) for rate rule (S_rad/NonDeS;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 C4H8S2(35)+C4H8S2(35)=S(203)+C4H7S2(90) 5.874e+12 0.000 0.000 ! Reaction index: Chemkin #921; RMG #32726 ! Template reaction: SubstitutionS ! S-Cs(HHH)H;SsJ-HExact match found for rate rule (S-CsH;SsJ-H) S(2928)+HSJ(16)=S(3191)+H(24) 7.520e+01 3.300 22.713 ! Reaction index: Chemkin #922; RMG #33897 ! Template reaction: SubstitutionS ! S-Cs(HHH)Cs(HHH);SsJ-HExact match found for rate rule (S-CsCs;SsJ-H) S(2920)+HSJ(16)=S(3191)+C4H9(20) 1.770e+03 3.030 12.900 ! Reaction index: Chemkin #923; RMG #35690 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds;SsJ) for rate rule (Cds-CsH_Cds-CsCs;SsJ-Ss) ! Ea raised from -1.4 to 19.0 kJ/mol to match endothermicity of reaction. HS2(25)+C8H14(443)=S(3191) 2.480e+02 2.914 4.547 ! Reaction index: Chemkin #924; RMG #108795 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds-HH_Cds;SsJ-H) for rate rule (Cds-HH_Cds-CsCs;SsJ-H) S(8546)+HSJ(16)=S(8698) 2.490e+03 2.700 -0.800 ! Reaction index: Chemkin #925; RMG #97327 ! Template reaction: R_Recombination ! Estimated using template (Y_rad;Y_rad) for rate rule (C=SJ-C;H_rad) S(7670)+H(24)=S(6398) 7.206e+12 0.101 -0.195 ! Reaction index: Chemkin #926; RMG #97332 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (X_H;CS_rad/Cd) HS2(25)+S(7670)=S(6398)+S2JJ(13) 1.606e+04 2.560 9.564 ! Reaction index: Chemkin #927; RMG #97343 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/H2/Cs) S(6398)+C4H9S(14)=C4H9SH(4)+S(7670) 8.790e-04 4.340 4.700 ! Reaction index: Chemkin #928; RMG #97359 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (CS/H/Cd;S_rad/NonDeC) S(6398)+C4H9SJ(15)=C4H9SH(4)+S(7670) 1.606e+04 2.560 9.677 ! Reaction index: Chemkin #929; RMG #97365 ! Template reaction: H_Abstraction ! Estimated using template (X_H;Y_rad) for rate rule (CS/H/Cd;S_pri_rad) S(6398)+HSJ(16)=H2S(2)+S(7670) 1.606e+04 2.560 9.649 ! Reaction index: Chemkin #930; RMG #97418 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/Cs3) S(6398)+C4H9(20)=C4H10(5)+S(7670) 1.520e-03 4.340 5.600 ! Reaction index: Chemkin #931; RMG #97433 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/H2/Cs) S(6398)+C8H17S(23)=DTBS(1)+S(7670) 8.790e-04 4.340 4.700 ! Reaction index: Chemkin #932; RMG #97452 ! Template reaction: H_Abstraction ! Estimated using template (CS/H/Cd;C_rad/H2/Cd) for rate rule (CS/H/Cd;C_rad/H2/Cd\Cs_Cd\H2) S(6398)+C4H7(33)=C4H8(3)+S(7670) 1.390e-02 4.340 16.100 ! Reaction index: Chemkin #933; RMG #97750 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/H2/Cd) S(6398)+C8H13(150)=C8H14(539)+S(7670) 1.390e-02 4.340 16.100 ! Reaction index: Chemkin #934; RMG #97783 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/H/CdCs) S(6398)+C8H13(150)=C8H14(124)+S(7670) 1.050e-02 4.340 17.900 ! Reaction index: Chemkin #935; RMG #97857 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/Cs3) S(6398)+C8H13(441)=C8H14(443)+S(7670) 1.520e-03 4.340 5.600 ! Reaction index: Chemkin #936; RMG #97958 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/H2/Cd) S(6398)+C8H13(744)=C8H14(443)+S(7670) 1.390e-02 4.340 16.100 ! Reaction index: Chemkin #937; RMG #98033 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/H/NonDeC) S(6398)+C8H13(739)=C8H14(443)+S(7670) 1.240e-03 4.340 5.600 ! Reaction index: Chemkin #938; RMG #98093 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/H2/Cs) S(6398)+C8H13(741)=C8H14(443)+S(7670) 8.790e-04 4.340 4.700 ! Reaction index: Chemkin #939; RMG #98194 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/Cs3) S(6398)+S(1368)=S(1507)+S(7670) 1.520e-03 4.340 5.600 ! Reaction index: Chemkin #940; RMG #98318 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/H/CdCs) S(6398)+C8H13(742)=C8H14(443)+S(7670) 1.050e-02 4.340 17.900 ! Reaction index: Chemkin #941; RMG #98355 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/H/CdCs) S(6398)+C8H13(740)=C8H14(443)+S(7670) 1.050e-02 4.340 17.900 ! Reaction index: Chemkin #942; RMG #98497 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/H/CdCs) S(6398)+S(1549)=S(2099)+S(7670) 1.050e-02 4.340 17.900 ! Reaction index: Chemkin #943; RMG #98530 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/H2/Cs) S(6398)+S(2083)=S(2099)+S(7670) 8.790e-04 4.340 4.700 ! Reaction index: Chemkin #944; RMG #98631 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/CdCs2) S(6398)+S(2082)=S(2099)+S(7670) 1.990e-03 4.340 18.400 ! Reaction index: Chemkin #945; RMG #99026 ! Template reaction: H_Abstraction ! Estimated using template (S_sec;CS_sec_rad) for rate rule (S/H/NonDeS;CS_rad/Cd) ! Multiplied by reaction path degeneracy 2 HSSH(17)+S(7670)=S(6398)+HS2(25) 8.575e+02 3.060 -1.322 ! Reaction index: Chemkin #946; RMG #108632 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/Cs3) C8H15(104)+S(6398)=S(8546)+S(7670) 1.520e-03 4.340 5.600 ! Reaction index: Chemkin #947; RMG #122874 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;CS_rad/Cd) ! Multiplied by reaction path degeneracy 2 C8H14(539)+S(7670)=C8H13(506)+S(6398) 3.300e-02 4.340 11.300 ! Reaction index: Chemkin #948; RMG #137549 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCs;CS_rad/Cd) ! Multiplied by reaction path degeneracy 4 C8H12(735)+S(7670)=S(10047)+S(6398) 4.880e-02 4.340 12.900 ! Reaction index: Chemkin #949; RMG #151525 ! Template reaction: H_Abstraction ! Exact match found for rate rule (CS/H/Cd;C_rad/H2/Cd) S(5433)+S(6398)=S(9203)+S(7670) 1.390e-02 4.340 16.100 ! Reaction index: Chemkin #950; RMG #151537 ! Template reaction: H_Abstraction ! Exact match found for rate rule (C/H2/CdCd;CS_rad/Cd) ! Multiplied by reaction path degeneracy 2 S(525)+S(7670)=S(5433)+S(6398) 3.300e-02 4.340 11.300 ! Reaction index: Chemkin #951; RMG #185938 ! Template reaction: H_Abstraction ! Estimated using template (S_sec;CS_sec_rad) for rate rule (S/H/NonDeS;CS_rad/Cd) S(203)+S(7670)=C4H8S2(35)+S(6398) 4.287e+02 3.060 -1.322 ! Reaction index: Chemkin #952; RMG #194324 ! Template reaction: Disproportionation ! Estimated using template (Y_rad;XH_Rrad) for rate rule (Y_rad;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 9 S(7670)+C4H9(20)=S(6398)+C4H8(3) 1.542e+10 1.034 -0.357 ! Reaction index: Chemkin #953; RMG #194687 ! Template reaction: Disproportionation ! Estimated using template (Y_rad;XH_Rrad) for rate rule (Y_rad;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 8 S(7670)+C8H14(154)=S(6398)+C8H13(441) 1.371e+10 1.034 -0.357 ! Reaction index: Chemkin #954; RMG #194800 ! Template reaction: Disproportionation ! Estimated using template (Y_rad;XH_Rrad) for rate rule (Y_rad;C/H2/De_Csrad/H/Cd) ! Multiplied by reaction path degeneracy 2 S(7670)+C8H13(150)=S(6398)+C8H12(521) 3.427e+09 1.034 -0.357 ! Reaction index: Chemkin #955; RMG #194906 ! Template reaction: Disproportionation ! Estimated using template (Y_rad;XH_Rrad) for rate rule (Y_rad;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(7670)+C8H13(441)=S(6398)+C8H12(735) 3.427e+09 1.034 -0.357 ! Reaction index: Chemkin #956; RMG #195635 ! Template reaction: Disproportionation ! Estimated using template (Y_rad;XH_Rrad) for rate rule (Y_rad;C/H/NdMd_Csrad/H/Cd) S(7670)+C8H13(740)=S(6398)+C8H12(735) 1.714e+09 1.034 -0.357 ! Reaction index: Chemkin #957; RMG #196672 ! Template reaction: Disproportionation ! Estimated using template (Y_rad;XH_Rrad) for rate rule (Y_rad;S_Srad) S(7670)+HS2(25)=S(6398)+S2(12) 1.714e+09 1.034 -0.357 ! Reaction index: Chemkin #958; RMG #197982 ! Template reaction: Disproportionation ! Estimated using template (Y_rad;XH_Rrad) for rate rule (Y_rad;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 S(7670)+C8H15(104)=S(6398)+C8H14(539) 3.427e+09 1.034 -0.357 ! Reaction index: Chemkin #959; RMG #197983 ! Template reaction: Disproportionation ! Estimated using template (Y_rad;XH_Rrad) for rate rule (Y_rad;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(7670)+C8H15(104)=S(6398)+C8H14(124) 1.028e+10 1.034 -0.357 ! Reaction index: Chemkin #960; RMG #198296 ! Template reaction: Disproportionation ! Estimated using template (Y_rad;XH_Rrad) for rate rule (Y_rad;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(7670)+C8H13(506)=S(6398)+C8H12(521) 1.028e+10 1.034 -0.357 ! Reaction index: Chemkin #961; RMG #198600 ! Template reaction: Disproportionation ! Estimated using template (Y_rad;XH_Rrad) for rate rule (Y_rad;C/H2/De_Csrad) ! Multiplied by reaction path degeneracy 2 S(7670)+S(10047)=S(6398)+S(10431) 3.427e+09 1.034 -0.357 ! Reaction index: Chemkin #962; RMG #199167 ! Template reaction: Disproportionation ! Estimated using template (Y_rad;XH_Rrad) for rate rule (Y_rad;C/H2/Nd_Csrad) ! Multiplied by reaction path degeneracy 2 S(7670)+C4H8S2(35)=S(6398)+S(6410) 3.427e+09 1.034 -0.357 ! Reaction index: Chemkin #963; RMG #199168 ! Template reaction: Disproportionation ! Estimated using template (Y_rad;XH_Rrad) for rate rule (Y_rad;Cmethyl_Csrad) ! Multiplied by reaction path degeneracy 6 S(7670)+C4H8S2(35)=S(6398)+C4H7S2(90) 1.028e+10 1.034 -0.357 ! Reaction index: Chemkin #964; RMG #194212 ! Template reaction: Intra_R_Add_Endocyclic ! Estimated using template (Rn;multiplebond_intra;radadd_intra) for rate rule (R3_D;doublebond_intra_secNd_2H;radadd_intra) S(7670)=S(12964) 1.000e+09 0.190 20.000 ! Reaction index: Chemkin #965; RMG #194286 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cd_R;CJ) for rate rule (Cds-CsCs_Cds-HH;C=SJ-Cd) S(7670)+C4H8(3)=S(12992) 9.460e+03 2.305 6.030 ! Reaction index: Chemkin #966; RMG #194287 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cd_R;CJ) for rate rule (Cds-HH_Cds-CsCs;C=SJ-Cd) S(7670)+C4H8(3)=S(12993) 9.460e+03 2.305 6.030 ! Reaction index: Chemkin #967; RMG #197761 ! Template reaction: SubstitutionS ! Estimated using template (S-CC;SsJ) for rate rule (S-CdC=S;SsJ-H) S(13752)+HSJ(16)=S(7670)+S(3383) 1.079e+01 3.573 16.833 ! Reaction index: Chemkin #968; RMG #197803 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_R;CJ) for rate rule (Sd_Cds-CdH;C=SJ-Cd) S(7670)+S(6398)=S(13752) 6.463e+02 2.978 -0.089 ! Reaction index: Chemkin #969; RMG #197887 ! Template reaction: SubstitutionS ! Estimated using template (S-RR;CJ) for rate rule (S-CdCs;C=SJ-Cd) S(7670)+S(6452)=S(13752)+C4H7(33) 6.779e+01 2.882 10.125 ! Reaction index: Chemkin #970; RMG #95369 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cds_Cds;SsJ) for rate rule (Cds-CsCs_Cds-HH;SsJ-Ss) ! Ea raised from -1.4 to 34.2 kJ/mol to match endothermicity of reaction. S(6410)+C4H8(3)=S(7161) 2.480e+02 2.914 8.181 ! Reaction index: Chemkin #971; RMG #91951 ! Template reaction: SubstitutionS ! Estimated using template (S-RR;SJ) for rate rule (S-Cds(H)Ss(H);SsJ-Cs) S(3383)+C4H9SJ(15)=S(6417)+HSJ(16) 5.580e+00 3.630 19.836 ! Reaction index: Chemkin #972; RMG #91987 ! Template reaction: 1,3_Insertion_RSR ! Estimated using template (Cd_Cd;H_SR) for rate rule (Cd/H2_Cd/Cs2;H_SR) ! Multiplied by reaction path degeneracy 4 S(3383)+C4H8(3)=S(6417) 5.600e+01 3.239 41.764 ! Reaction index: Chemkin #973; RMG #92023 ! Template reaction: SubstitutionS ! Estimated using an average for rate rule (S-SsCs;HJ) S(6417)+H(24)=S(3383)+C4H9(20) 8.341e+07 1.647 5.333 ! Reaction index: Chemkin #974; RMG #97357 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_Cd;SsJ) for rate rule (Sd_Cds-CdH;SsJ-Cs) S(6398)+C4H9SJ(15)=S(6417) 3.331e+02 2.967 -2.633 ! Reaction index: Chemkin #975; RMG #99860 ! Template reaction: SubstitutionS ! Estimated using template (S-CC;SsJ) for rate rule (S-CdCs;SsJ-Cs) S(6452)+C4H9SJ(15)=S(6417)+C4H7(33) 1.079e+01 3.573 16.833 ! Reaction index: Chemkin #976; RMG #211991 ! Template reaction: SubstitutionS ! Estimated using template (S-CC;SsJ) for rate rule (S-CdC=S;SsJ-Cs) S(13752)+C4H9SJ(15)=S(6417)+S(7670) 1.079e+01 3.573 16.833 ! Reaction index: Chemkin #977; RMG #218268 ! Template reaction: intra_H_migration ! Estimated using template (RnH;Y_rad_out;XH_out) for rate rule (R7H;C_rad_out_2H;Cs_H_out_2H) ! Multiplied by reaction path degeneracy 6 S(7161)=S(6417) 6.832e+06 1.650 29.649 ! Reaction index: Chemkin #978; RMG #198748 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Cd_R;CJ) for rate rule (Cds-CdH_Cds-CdCs;C=SJ-Cd) ! Multiplied by reaction path degeneracy 4 S(7670)+S(10431)=S(14191) 3.784e+04 2.305 6.030 ! Reaction index: Chemkin #979; RMG #122696 ! Template reaction: SubstitutionS ! Estimated using template (S-CC;SsJ) for rate rule (S-CdCs;SsJ-H) S(9515)+HSJ(16)=C8H13(506)+S(3383) 1.079e+01 3.573 16.833 ! Reaction index: Chemkin #980; RMG #122839 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_Cd;CsJ) for rate rule (Sd_Cds-CdH;CsJ-CdHH) C8H13(506)+S(6398)=S(9515) 6.463e+02 2.978 -0.089 ! Reaction index: Chemkin #981; RMG #122937 ! Template reaction: SubstitutionS ! Estimated using template (S-RR;CJ) for rate rule (S-CdCs;CsJ-CdHH) S(9515)+C4H7(33)=C8H13(506)+S(6452) 6.779e+01 2.882 10.125 ! Reaction index: Chemkin #982; RMG #216902 ! Template reaction: SubstitutionS ! Estimated using template (S-RR;CJ) for rate rule (S-CdCs;C=SJ-Cd) S(9515)+S(7670)=S(13752)+C8H13(506) 6.779e+01 2.882 10.125 ! Reaction index: Chemkin #983; RMG #224335 ! Template reaction: SubstitutionS ! Estimated using template (S-CC;SsJ) for rate rule (S-CdCs;SsJ-Cs) S(9515)+C4H9SJ(15)=S(6417)+C8H13(506) 1.079e+01 3.573 16.833 ! Reaction index: Chemkin #984; RMG #122730 ! Template reaction: SubstitutionS ! Estimated using template (S-CC;SsJ) for rate rule (S-CdCs;SsJ-H) S(9534)+HSJ(16)=C8H13(506)+S(3383) 1.079e+01 3.573 16.833 ! Reaction index: Chemkin #985; RMG #122872 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_Cd;CsJ) for rate rule (Sd_Cds-CdH;CsJ-CdCdH) C8H13(506)+S(6398)=S(9534) 6.463e+02 2.978 -0.089 ! Reaction index: Chemkin #986; RMG #122959 ! Template reaction: SubstitutionS ! Estimated using template (S-RR;CJ) for rate rule (S-CdCs;CsJ-CdHH) S(9534)+C4H7(33)=C8H13(506)+S(6452) 6.779e+01 2.882 10.125 ! Reaction index: Chemkin #987; RMG #216908 ! Template reaction: SubstitutionS ! Estimated using template (S-RR;CJ) for rate rule (S-CdCs;C=SJ-Cd) S(9534)+S(7670)=S(13752)+C8H13(506) 6.779e+01 2.882 10.125 ! Reaction index: Chemkin #988; RMG #224341 ! Template reaction: SubstitutionS ! Estimated using template (S-CC;SsJ) for rate rule (S-CdCs;SsJ-Cs) S(9534)+C4H9SJ(15)=S(6417)+C8H13(506) 1.079e+01 3.573 16.833 ! Reaction index: Chemkin #989; RMG #239653 ! Template reaction: SubstitutionS ! Estimated using template (S-RR;CJ) for rate rule (S-CdCs;CsJ-CdHH) S(9534)+C8H13(506)=S(9515)+C8H13(506) 6.779e+01 2.882 10.125 ! Reaction index: Chemkin #990; RMG #122760 ! Template reaction: SubstitutionS ! Estimated using template (S-CC;SsJ) for rate rule (S-CdCs;SsJ-H) S(9554)+HSJ(16)=C8H13(506)+S(3383) 1.079e+01 3.573 16.833 ! Reaction index: Chemkin #991; RMG #122887 ! Template reaction: R_Addition_MultipleBond ! Estimated using template (Sd_Cd;CsJ) for rate rule (Sd_Cds-CdH;CsJ-CdCsCs) C8H13(506)+S(6398)=S(9554) 6.463e+02 2.978 -0.089 ! Reaction index: Chemkin #992; RMG #122974 ! Template reaction: SubstitutionS ! Estimated using template (S-RR;CJ) for rate rule (S-CdCs;CsJ-CdHH) S(9554)+C4H7(33)=C8H13(506)+S(6452) 6.779e+01 2.882 10.125 ! Reaction index: Chemkin #993; RMG #216912 ! Template reaction: SubstitutionS ! Estimated using template (S-RR;CJ) for rate rule (S-CdCs;C=SJ-Cd) S(9554)+S(7670)=S(13752)+C8H13(506) 6.779e+01 2.882 10.125 ! Reaction index: Chemkin #994; RMG #224345 ! Template reaction: SubstitutionS ! Estimated using template (S-CC;SsJ) for rate rule (S-CdCs;SsJ-Cs) S(9554)+C4H9SJ(15)=S(6417)+C8H13(506) 1.079e+01 3.573 16.833 ! Reaction index: Chemkin #995; RMG #239656 ! Template reaction: SubstitutionS ! Estimated using template (S-RR;CJ) for rate rule (S-CdCs;CsJ-CdHH) S(9554)+C8H13(506)=S(9515)+C8H13(506) 6.779e+01 2.882 10.125 ! Reaction index: Chemkin #996; RMG #246900 ! Template reaction: SubstitutionS ! Estimated using template (S-RR;CJ) for rate rule (S-CdCs;CsJ-CdCsCs) S(9534)+C8H13(506)=S(9554)+C8H13(506) 6.779e+01 2.882 10.125 END