Montag, 16. September 2013
CHEMKIN-Datei für Dimethylether (DME) und Methan
Die laminare Brenngeschwindigkeit und die Zündverzugszeit für DME und Methan ist hier.
! This chemkin file was generated by RMG
! The RMG execution terminated at 2013-08-22 17:31:36
ELEMENTS H C O N AR He END
SPECIES
AR N2 He O2 CO2
H2O CH3OCH3 CH4 C3H8 CH3OH
C2H5OH H H2 O OH
HO2 H2O2 CO C2H2 C2H4
C2H6 C3H4-A C3H6 C4H2 CH2O
CH2CO CH CH2 CH2(S) CH3
C2H C2H3 C2H5 c-C3H2 C3H3
C4H3-I HCO CH3O CH2OH HCCO
CH2CHO C3H5-A C4H10 CH3CHO PC4H9
SC4H9 PC4H9O2 SC4H9O2 C3H5O2 HOCO
CH3O2H CH3O2 CH2O2H C2H5O CH3OCH2
IC3H7 CH3OCH2O2 NC3H7 CH3OCH2O CH3OCHO
CH3OCO CH2OCHO OOCH2OCHO CH2OCH2O2H CH3CO
CH3CHCO C2H3O1-2 C C3H4-P C3H2
C3H5-T C3H5-S CH3CO2 C4H8-1 C4H71-3
C4H6 H2CC C4H8-2 C2H5CHCO
END
THERMO ALL
300.000 1000.000 5000.000
AR L 6/88Ar 1 G 200.000 6000.000 1000. 1
0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
-0.74537500E+03 0.43796749E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 3
0.00000000E+00 0.00000000E+00-0.74537500E+03 0.43796749E+01 4
N2 G 8/02N 2 G 200.000 6000.000 1000. 1
2.95257637E+00 1.39690040E-03-4.92631603E-07 7.86010195E-11-4.60755204E-15 2
-9.23948688E+02 5.87188762E+00 3.53100528E+00-1.23660988E-04-5.02999433E-07 3
2.43530612E-09-1.40881235E-12-1.04697628E+03 2.96747038E+00 4
Ne L10/90Ne 1 G 200.0 6000.00 1000.0 1
0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
-0.74537500E+03 0.33553227E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 3
0.00000000E+00 0.00000000E+00-0.74537498E+03 0.33553227E+01 4
He REF ELEMENT He 1 G 200.000 6000.000 1000. 1
2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
-7.45375000E+02 9.28723974E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3
0.00000000E+00 0.00000000E+00-7.45375000E+02 9.28723974E-01 0.00000000E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00010295)
O2 C 0H 0O 2 G 250.000 5000.000 995.043 1
3.27573492E+00 1.37750101E-03-5.55093355E-07 9.57662136E-11-5.98886255E-15 2
-1.06559552E+03 5.54832376E+00 3.54869986E+00-1.28797020E-03 5.82700881E-06 3
-5.76400113E-09 1.86418279E-12-1.04228473E+03 4.62288176E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009360)
CO2 C 1H 0O 2 G 250.000 5000.000 995.043 1
4.77187421E+00 2.50753752E-03-8.66432080E-07 1.35553288E-10-7.93318979E-15 2
-4.90762840E+04-2.71725050E+00 3.39699776E+00 1.18527960E-03 1.14517615E-05 3
-1.50350636E-08 5.54162537E-12-4.84636006E+04 5.61270333E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009881)
H2O C 0H 2O 1 G 250.000 5000.000 995.043 1
2.83110126E+00 2.78038993E-03-6.99588917E-07 8.21825094E-11-3.71156245E-15 2
-2.99689311E+04 5.95849852E+00 3.95832312E+00-3.20926152E-04 1.81982312E-06 3
-1.61474813E-10-3.05372223E-13-3.02640525E+04 1.70170137E-01 4
!Primary Thermo Library: DFT_QCI (Species ID: DME)
CH3OCH3 C 2H 6O 1 G 250.000 5000.000 995.043 1
5.25390915E+00 1.65360191E-02-5.89496463E-06 9.50822649E-10-5.70643318E-14 2
-2.47774338E+04-3.46221613E+00 3.99547944E+00 6.92734806E-03 3.07006558E-05 3
-3.83817777E-08 1.35470182E-11-2.38008751E+04 6.25141536E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009193)
CH4 C 1H 4 G 250.000 5000.000 995.043 1
1.30383064E+00 1.06312170E-02-3.63140341E-06 5.65079843E-10-3.30334874E-14 2
-9.84472024E+03 1.18953866E+01 4.13429347E+00-5.99159306E-03 2.93330551E-05 3
-2.68176503E-08 8.17758596E-12-1.01483723E+04-4.41255344E-01 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00003749)
C3H8 C 3H 8 G 250.000 5000.000 995.043 1
7.39040044E+00 1.93494966E-02-6.81221609E-06 1.09026926E-09-6.50630141E-14 2
-1.63822386E+04-1.71504126E+01 3.81651685E+00 4.45590583E-03 5.97486434E-05 3
-7.30573201E-08 2.59891448E-11-1.42224570E+04 7.35257278E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009219)
CH3OH C 1H 4O 1 G 250.000 5000.000 995.043 1
3.49735511E+00 1.04035194E-02-3.70244662E-06 5.97019947E-10-3.58241141E-14 2
-2.59124675E+04 5.34848450E+00 4.08696127E+00-3.15111615E-03 3.35910712E-05 3
-3.56853666E-08 1.19180755E-11-2.54761117E+04 5.28916004E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: ethanol)
C2H5OH C 2H 6O 1 G 250.000 5000.000 995.043 1
6.62695958E+00 1.44892761E-02-4.91513197E-06 7.65912135E-10-4.48549062E-14 2
-3.16114285E+04-9.75269969E+00 3.76029581E+00 5.21319479E-03 4.04235373E-05 3
-5.06180748E-08 1.81432104E-11-3.00112302E+04 9.23723805E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009800)
H C 0H 1 G 250.000 5000.000 995.043 1
2.50000000E+00 1.94847979E-16-1.10543914E-19 2.31874113E-23-1.27039788E-27 2
2.54706576E+04-4.49305799E-01 2.50000000E+00 4.49968562E-16-1.26455356E-18 3
1.31186362E-21-4.54562432E-25 2.54706576E+04-4.49305799E-01 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009809)
H2 C 0H 2 G 250.000 5000.000 995.043 1
3.23597865E+00 3.41872004E-04 1.23407858E-07-4.57800734E-11 3.78637707E-15 2
-9.64700069E+02-2.79075150E+00 3.40255781E+00 1.01721558E-04-1.62009963E-07 3
5.79222153E-10-2.62226797E-13-1.01911266E+03-3.70041102E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00010285)
O C 0H 0O 1 G 250.000 5000.000 995.043 1
2.50000000E+00 1.94847979E-16-1.10543914E-19 2.31874113E-23-1.27039788E-27 2
2.92199028E+04 5.12391280E+00 2.50000000E+00 4.49968562E-16-1.26455356E-18 3
1.31186362E-21-4.54562432E-25 2.92199028E+04 5.12391280E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00010102)
OH C 0H 1O 1 G 250.000 5000.000 995.043 1
2.93119405E+00 9.44009457E-04-1.92099986E-07 1.59260471E-11-3.62890589E-16 2
3.90227219E+03 5.31991702E+00 3.47847173E+00 1.29552078E-03-4.56835304E-06 3
5.52497719E-09-2.03195029E-12 3.66704456E+03 2.04761842E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00010103)
HO2 C 0H 1O 2 G 250.000 5000.000 995.043 1
3.93891938E+00 2.49134217E-03-7.86894875E-07 1.15425499E-10-6.44483776E-15 2
1.12296544E+02 4.12896553E+00 3.95968629E+00-2.13114054E-03 1.30237937E-05 3
-1.37219091E-08 4.62191757E-12 3.32869306E+02 5.15800548E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009882)
H2O2 C 0H 2O 2 G 250.000 5000.000 995.043 1
4.67839384E+00 3.94739445E-03-1.26880126E-06 1.89252448E-10-1.07219649E-14 2
-1.80606399E+04 5.27004318E-02 3.89827164E+00 1.99039933E-03 9.35892035E-06 3
-1.20750954E-08 4.36302224E-12-1.76532559E+04 5.07940792E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009358)
CO C 1H 0O 1 G 250.000 5000.000 995.043 1
2.88218860E+00 1.58752970E-03-5.94344327E-07 9.86563142E-11-6.03587931E-15 2
-1.41783514E+04 6.99435771E+00 3.56417359E+00-5.26632067E-04 1.64695609E-06 3
-7.69352808E-10 5.28495240E-14-1.43451305E+04 3.55149887E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00002305)
C2H2 C 2H 2 G 250.000 5000.000 995.043 1
5.45651194E+00 3.50555161E-03-8.23727794E-07 8.56224048E-11-3.19249509E-15 2
2.54041135E+04-8.55838429E+00 3.15464239E+00 5.67077088E-03 6.59742636E-06 3
-1.20453922E-08 4.84331906E-12 2.62131066E+04 4.29861452E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00002577)
C2H4 C 2H 4 G 250.000 5000.000 995.043 1
4.53370569E+00 9.57308713E-03-3.23408854E-06 5.01623403E-10-2.92495620E-14 2
4.05240745E+03-3.34571790E+00 3.90849430E+00-6.61973360E-03 4.93751261E-05 3
-5.36388906E-08 1.83200843E-11 5.10288607E+03 4.32080737E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00002784)
C2H6 C 2H 6 G 250.000 5000.000 995.043 1
4.31432931E+00 1.47965141E-02-5.13777267E-06 8.13192623E-10-4.81447582E-14 2
-1.25000423E+04-2.38870767E+00 3.97360158E+00-3.06302033E-03 5.07725418E-05 3
-5.60673537E-08 1.91223516E-11-1.14802815E+04 4.03689134E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: allene)
C3H4-A C 3H 4 G 250.000 5000.000 995.043 1
7.01202465E+00 9.64707138E-03-3.09320625E-06 4.60665302E-10-2.60492710E-14 2
1.95652447E+04-1.42869132E+01 3.65057001E+00 3.67676994E-03 3.52771151E-05 3
-4.49247035E-08 1.63207567E-11 2.11987240E+04 6.76008841E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: C3H6)
C3H6 C 3H 6 G 250.000 5000.000 995.043 1
6.33727666E+00 1.53694744E-02-5.24704464E-06 8.20631166E-10-4.81725273E-14 2
-8.81158056E+02-9.99988447E+00 3.78694747E+00 3.23847432E-03 4.67820838E-05 3
-5.66449741E-08 2.00696363E-11 7.34467900E+02 7.85935081E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: HCCCCH)
C4H2 C 4H 2 G 250.000 5000.000 995.043 1
9.28443799E+00 5.28870961E-03-1.47630987E-06 1.93916488E-10-9.83764919E-15 2
5.18609262E+04-2.58114941E+01 2.91603164E+00 2.24581589E-02-1.46491592E-05 3
5.04267956E-10 2.05161828E-12 5.35456786E+04 6.97805931E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009076)
CH2O C 1H 2O 1 G 250.000 5000.000 995.043 1
2.89495423E+00 6.59935990E-03-2.45847721E-06 4.07532907E-10-2.48942811E-14 2
-1.43223113E+04 7.66710900E+00 4.15895260E+00-5.00227292E-03 2.48600723E-05 3
-2.44811473E-08 7.88287165E-12-1.42510596E+04 3.19736087E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00002431)
CH2CO C 2H 2O 1 G 250.000 5000.000 995.043 1
6.22122851E+00 5.49787969E-03-1.76188900E-06 2.62214621E-10-1.48233405E-14 2
-8.15935906E+03-8.71568740E+00 3.76556664E+00 5.61181388E-03 1.27757494E-05 3
-1.93329426E-08 7.38442436E-12-7.18760399E+03 5.54657758E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009010)
CH C 1H 1 G 250.000 5000.000 995.043 1
2.60390342E+00 1.65740283E-03-4.08551381E-07 4.41529946E-11-1.74774104E-15 2
7.10753424E+04 6.90310860E+00 3.46420815E+00 4.09864469E-04-1.86067896E-06 3
3.24996854E-09-1.36820234E-12 7.07946864E+04 2.20694472E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009015)
CH2 C 1H 2 G 250.000 5000.000 995.043 1
3.46623393E+00 2.49871931E-03-6.72290011E-07 8.50756745E-11-4.16505897E-15 2
4.60368887E+04 2.90433157E+00 3.94279830E+00-2.49882821E-04 4.72664870E-06 3
-4.37331506E-09 1.32732483E-12 4.59832789E+04 8.14732097E-01 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009012)
CH2(S) C 1H 2 G 250.000 5000.000 995.043 1
2.83948889E+00 3.42672794E-03-1.12432398E-06 1.70959126E-10-9.84943711E-15 2
5.07556524E+04 5.71929061E+00 4.05212557E+00-1.21045555E-03 5.50803693E-06 3
-4.03274187E-09 9.86037426E-13 5.05025684E+04-1.84041868E-01 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009089)
CH3 C 1H 3 G 250.000 5000.000 995.043 1
3.29357244E+00 5.17342537E-03-1.59469094E-06 2.30721655E-10-1.27839589E-14 2
1.64213935E+04 2.99099001E+00 3.95487471E+00-8.01537496E-05 1.02371184E-05 3
-1.03175622E-08 3.29596781E-12 1.64182649E+04 4.49456912E-01 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00002295)
C2H C 2H 1 G 250.000 5000.000 995.043 1
3.81448316E+00 3.44058665E-03-1.03160288E-06 1.42507490E-10-7.56336893E-15 2
6.68933830E+04 3.12704204E+00 3.37805007E+00 8.95689354E-03-1.50182141E-05 3
1.33128220E-08-4.27114089E-12 6.67940033E+04 4.29460326E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00002447)
C2H3 C 2H 3 G 250.000 5000.000 995.043 1
4.94368031E+00 6.48172735E-03-2.08990190E-06 3.12650209E-10-1.77384020E-14 2
3.39050256E+04-2.79958383E+00 3.84584251E+00-2.84495966E-03 3.26823759E-05 3
-3.68615156E-08 1.28086762E-11 3.48037062E+04 5.90934413E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00002703)
C2H5 C 2H 5 G 250.000 5000.000 995.043 1
4.59320890E+00 1.18436237E-02-4.07290481E-06 6.40369771E-10-3.77359054E-14 2
1.19693206E+04-8.17949459E-01 3.93585841E+00-1.41361383E-03 3.98804465E-05 3
-4.48664018E-08 1.54302743E-11 1.28872636E+04 6.30535006E+00 4
!Primary Thermo Library: RMG-minimal (Species ID: C3H2)
c-C3H2 C 3H 2 G 250.000 5000.000 995.043 1
6.39467400E+00 5.47268049E-03-1.86221603E-06 2.89988832E-10-1.69240522E-14 2
5.46105708E+04-1.10169869E+01 3.79975761E+00-4.35792264E-03 4.35015358E-05 3
-5.05675474E-08 1.79023823E-11 5.61300609E+04 6.52947317E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: C3H3)
C3H3 C 3H 3 G 250.000 5000.000 995.043 1
7.51985508E+00 6.50322042E-03-1.96893451E-06 2.79870092E-10-1.52565270E-14 2
3.94630812E+04-1.51235496E+01 3.60974313E+00 1.22080327E-02 4.52637831E-06 3
-1.41854882E-08 6.16008984E-12 4.07369530E+04 6.21202774E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: CH2CCCH)
C4H3-I C 4H 3 G 250.000 5000.000 995.043 1
8.78775488E+00 8.62609333E-03-2.93394866E-06 4.56340148E-10-2.66877631E-14 2
5.64497123E+04-1.79488408E+01 3.62647950E+00 2.34279007E-02-1.62836174E-05 3
3.39491692E-09 7.43872985E-13 5.77712173E+04 8.40484771E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009325)
HCO C 1H 1O 1 G 250.000 5000.000 995.043 1
3.38824513E+00 3.47370886E-03-1.31622717E-06 2.20268990E-10-1.35362109E-14 2
3.84534595E+03 6.58067081E+00 4.09547115E+00-2.24253472E-03 1.16321956E-05 3
-1.13569642E-08 3.62429212E-12 3.84684343E+03 3.88697939E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009173)
CH3O C 1H 3O 1 G 250.000 5000.000 995.043 1
3.59674992E+00 8.26039134E-03-2.98274856E-06 4.85185136E-10-2.92638617E-14 2
2.11601755E+02 3.88792942E+00 4.08444772E+00-7.08980768E-03 4.03418534E-05 3
-4.20652101E-08 1.40590323E-11 7.77409063E+02 4.86832147E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00009174)
CH2OH C 1H 3O 1 G 250.000 5000.000 995.043 1
4.86003674E+00 6.20020032E-03-2.05012442E-06 3.13970799E-10-1.81756349E-14 2
-3.63595407E+03-5.13882381E-01 3.89595787E+00 4.86276094E-03 7.82443507E-06 3
-1.15669023E-08 4.28965682E-12-3.18602357E+03 5.42923104E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00003017)
HCCO C 2H 1O 1 G 250.000 5000.000 995.043 1
6.13838337E+00 3.09573294E-03-9.88693828E-07 1.49194259E-10-8.56303361E-15 2
1.91413365E+04-6.74704597E+00 3.29051131E+00 9.25727723E-03-2.30750482E-06 3
-4.30672065E-09 2.45249128E-12 1.99698080E+04 8.29325984E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00002559)
CH2CHO C 2H 3O 1 G 250.000 5000.000 995.043 1
5.63174412E+00 8.74493835E-03-3.17610156E-06 5.21274411E-10-3.16843104E-14 2
6.73322257E+02-3.06220587E+00 3.98085000E+00 5.89631084E-03 1.54166619E-05 3
-2.15154988E-08 7.91184833E-12 1.47142911E+03 7.25372040E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: allyl)
C3H5-A C 3H 5 G 250.000 5000.000 995.043 1
7.95056965E+00 1.11534659E-02-3.53163408E-06 5.18307208E-10-2.89251494E-14 2
1.67462827E+04-1.94624831E+01 3.51937056E+00 2.52896641E-03 4.93235288E-05 3
-6.15956902E-08 2.22856112E-11 1.89369360E+04 8.47010550E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: nbutane)
C4H10 C 4H 10 G 250.000 5000.000 995.043 1
8.95746623E+00 2.55983809E-02-8.95280587E-06 1.42523659E-09-8.47629809E-14 2
-1.97168954E+04-2.32303903E+01 3.69284398E+00 2.02791310E-02 3.89876964E-05 3
-5.74414987E-08 2.14253454E-11-1.73581535E+04 8.73004860E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00002656)
CH3CHO C 2H 4O 1 G 250.000 5000.000 995.043 1
5.41636897E+00 1.16878532E-02-4.26872206E-06 6.99711090E-10-4.24345803E-14 2
-2.25370888E+04-3.46678466E+00 4.00932485E+00 1.87985346E-03 3.38284568E-05 3
-4.04436216E-08 1.42187651E-11-2.14915112E+04 7.16128648E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: butyl_1)
PC4H9 C 4H 9 G 250.000 5000.000 995.043 1
9.61359278E+00 2.20848260E-02-7.59981399E-06 1.19595402E-09-7.05396599E-14 2
5.02410144E+03-2.36476316E+01 3.57503760E+00 1.91880380E-02 3.77270780E-05 3
-5.66152655E-08 2.13491344E-11 7.57095668E+03 1.22140598E+01 4
!Primary Thermo Library: DFT_QCI (Species ID: butyl_2)
SC4H9 C 4H 9 G 250.000 5000.000 995.043 1
8.27384521E+00 2.36883495E-02-8.32191505E-06 1.32865664E-09-7.91670684E-14 2
4.06372908E+03-1.60446279E+01 3.75291966E+00 1.52307997E-02 4.45736400E-05 3
-6.10080825E-08 2.23404957E-11 6.28183009E+03 1.23685891E+01 4
!Estimated by RMG using Group Additivity
PC4H9O2 C 4H 9O 2 G 250.000 5000.000 995.043 1
1.32849051E+01 2.45842001E-02-9.43576176E-06 1.60266641E-09-9.95701331E-14 2
-1.29516261E+04-3.80734913E+01 3.87887659E+00 3.41930371E-02 1.85940084E-05 3
-4.56613663E-08 1.89318873E-11-9.68355614E+03 1.42741429E+01 4
!Estimated by RMG using Group Additivity
SC4H9O2 C 4H 9O 2 G 250.000 5000.000 995.043 1
1.32366705E+01 2.42437352E-02-8.16049949E-06 1.25906880E-09-7.31584161E-14 2
-1.51245220E+04-3.87424352E+01 3.19022680E+00 3.75245056E-02 1.26794630E-05 3
-4.00794060E-08 1.71910305E-11-1.17833368E+04 1.64186317E+01 4
!Primary Thermo Library: DFT_QCI (Species ID: allylperoxy)
C3H5O2 C 3H 5O 2 G 250.000 5000.000 995.043 1
1.02976061E+01 1.44717190E-02-5.07378983E-06 8.08952711E-10-4.81439706E-14 2
6.22317227E+03-2.40569977E+01 3.58445897E+00 2.04636748E-02 1.75420033E-05 3
-3.55474723E-08 1.44136818E-11 8.59848491E+03 1.35192796E+01 4
!Primary Thermo Library: DFT_QCI (Species ID: HOCO)
HOCO C 1H 1O 2 G 250.000 5000.000 995.043 1
6.77898169E+00 2.43741073E-03-8.14958379E-07 1.24023826E-10-7.09162517E-15 2
-2.45036854E+04-9.96412738E+00 3.77245595E+00 3.09968106E-03 1.54076739E-05 3
-2.22827978E-08 8.52135459E-12-2.33398228E+04 7.36745923E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: CH3OOH)
CH3O2H C 1H 4O 2 G 250.000 5000.000 995.043 1
6.63714182E+00 9.69916414E-03-3.35855066E-06 5.31021878E-10-3.14240460E-14 2
-1.82776041E+04-7.80980553E+00 3.81260003E+00 8.08514089E-03 1.86241730E-05 3
-2.72951526E-08 1.02505935E-11-1.70734851E+04 9.02898654E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: CH3OO)
CH3O2 C 1H 3O 2 G 250.000 5000.000 995.043 1
5.38058825E+00 8.87579777E-03-3.16061472E-06 5.09076131E-10-3.05004803E-14 2
-7.40618479E+02-1.70515366E+00 3.93999601E+00 8.23092716E-04 2.98477451E-05 3
-3.55881896E-08 1.25517043E-11 2.31415126E+02 8.68150082E+00 4
!Estimated by RMG using Group Additivity
CH2O2H C 1H 3O 2 G 250.000 5000.000 995.043 1
7.35066358E+00 7.88965003E-03-2.90457558E-06 4.73945953E-10-2.85925374E-14 2
4.65513017E+03-1.28606414E+01 3.81303407E+00 1.21039003E-02 5.82748261E-06 3
-1.54831465E-08 6.51982218E-12 5.85453866E+03 6.67808529E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: CH3CH2O)
C2H5O C 2H 5O 1 G 250.000 5000.000 995.043 1
6.54101793E+00 1.30116635E-02-4.56057217E-06 7.26822626E-10-4.32500133E-14 2
-4.51492149E+03-8.44673503E+00 3.84395412E+00 8.75188561E-03 2.46264503E-05 3
-3.40807565E-08 1.25341502E-11-3.23056148E+03 8.30836472E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: CH3OCH2)
CH3OCH2 C 2H 5O 1 G 250.000 5000.000 995.043 1
6.08596992E+00 1.31670824E-02-4.72214454E-06 7.64951703E-10-4.60429513E-14 2
-2.38900030E+03-5.49781810E+00 3.93603329E+00 8.58340762E-03 2.21258561E-05 3
-3.05812623E-08 1.11857835E-11-1.30637158E+03 8.15387394E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: ipropyl)
IC3H7 C 3H 7 G 250.000 5000.000 995.043 1
5.87944564E+00 1.83566823E-02-6.44679115E-06 1.02889924E-09-6.12835680E-14 2
7.54520827E+03-5.48674265E+00 3.90521128E+00 4.61724076E-03 4.69406056E-05 3
-5.66322452E-08 1.99261427E-11 9.01116534E+03 9.42005323E+00 4
!Estimated by RMG using Group Additivity
CH3OCH2O2 C 2H 5O 3 G 250.000 5000.000 995.043 1
8.88965560E+00 1.68422587E-02-7.23144311E-06 1.30971824E-09-8.46060899E-14 2
-2.08670513E+04-1.44823323E+01 4.45521970E+00 2.68121696E-02-1.04178039E-05 3
-4.49013197E-09 3.36613093E-12-1.95956355E+04 8.84353432E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: npropyl)
NC3H7 C 3H 7 G 250.000 5000.000 995.043 1
7.30431994E+00 1.64557482E-02-5.52962303E-06 8.54945669E-10-4.97776639E-14 2
8.62895463E+03-1.30921375E+01 3.67314085E+00 8.10468193E-03 4.16530868E-05 3
-5.39342658E-08 1.95389722E-11 1.04876498E+04 1.01167533E+01 4
!Primary Thermo Library: DFT_QCI (Species ID: HOCH2CHOH)
CH3OCH2O C 2H 5O 2 G 250.000 5000.000 995.043 1
1.29570997E+01 7.66364240E-03-2.24983298E-06 3.13984108E-10-1.68707941E-14 2
-3.02181824E+04-4.02679425E+01 3.19077042E+00 2.61262117E-02 1.26981280E-06 3
-2.30492419E-08 1.11304720E-11-2.72450150E+04 1.19739841E+01 4
!Primary Thermo Library: DFT_QCI (Species ID: methyl_formate)
CH3OCHO C 2H 4O 2 G 250.000 5000.000 995.043 1
6.52443311E+00 1.48375289E-02-5.85301622E-06 1.00154509E-09-6.23686617E-14 2
-4.62510753E+04-8.06446391E+00 4.14839769E+00 3.66324806E-03 4.22354474E-05 3
-5.21499399E-08 1.85509715E-11-4.47521842E+04 8.54248298E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: CH3OCO)
CH3OCO C 2H 3O 2 G 250.000 5000.000 995.043 1
6.65500642E+00 1.10989708E-02-4.27926749E-06 7.23793889E-10-4.47748872E-14 2
-2.17962110E+04-6.55956648E+00 4.02020874E+00 8.79870425E-03 1.86226060E-05 3
-2.76409213E-08 1.03531327E-11-2.06336406E+04 9.34572910E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: CH2OCHO)
CH2OCHO C 2H 3O 2 G 250.000 5000.000 995.043 1
9.28389299E+00 9.11412244E-03-3.65841480E-06 6.32065310E-10-3.95776159E-14 2
-2.25470458E+04-2.17139615E+01 3.85846973E+00 1.28380308E-02 1.79918992E-05 3
-3.21399387E-08 1.27836295E-11-2.05719885E+04 8.93266889E+00 4
!Estimated by RMG using Group Additivity
OOCH2OCHO C 2H 3O 4 G 250.000 5000.000 995.043 1
1.03489760E+01 1.45143490E-02-7.47463459E-06 1.47143692E-09-9.93882214E-14 2
-4.17515562E+04-1.87192401E+01 4.93743733E+00 3.24243389E-02-2.86787265E-05 3
1.17955222E-08-1.71783236E-12-4.04843144E+04 8.31765030E+00 4
!Estimated by RMG using Group Additivity
CH2OCH2O2H C 2H 5O 3 G 250.000 5000.000 995.043 1
1.22125980E+01 1.35499998E-02-6.12102920E-06 1.13718026E-09-7.44848581E-14 2
-1.76013677E+04-3.25291946E+01 4.23060073E+00 3.05324840E-02-8.95193752E-06 3
-1.22215873E-08 7.11470595E-12-1.52651227E+04 9.69708421E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: acetyl)
CH3CO C 2H 3O 1 G 250.000 5000.000 995.043 1
5.10542754E+00 9.07658452E-03-3.19566473E-06 5.10653278E-10-3.04329341E-14 2
-3.40261851E+03-4.18685612E-01 3.94179415E+00 1.44234790E-03 2.68726838E-05 3
-3.20697164E-08 1.12794598E-11-2.56153576E+03 8.25212155E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: methylketene)
CH3CHCO C 3H 4O 1 G 250.000 5000.000 995.043 1
7.13712926E+00 1.25417298E-02-4.41297550E-06 7.05171733E-10-4.20375738E-14 2
-1.07711920E+04-1.08893460E+01 3.80991614E+00 1.08481437E-02 2.08557799E-05 3
-3.14438485E-08 1.18590284E-11-9.36306243E+03 8.89450996E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: oxiranyl)
C2H3O1-2 C 2H 3O 1 G 250.000 5000.000 995.043 1
6.74061098E+00 7.48203974E-03-2.41393460E-06 3.60344399E-10-2.03671917E-14 2
1.70234626E+04-1.19399945E+01 3.69377960E+00-5.66194401E-03 5.56780542E-05 3
-6.42062456E-08 2.26450523E-11 1.88868532E+04 9.06060217E+00 4
!Primary Thermo Library: GRIMech.0 (Species ID: s00000208)
C C 1H 0 G 250.000 5000.000 995.043 1
2.50000000E+00 1.94847979E-16-1.10543914E-19 2.31874113E-23-1.27039788E-27 2
8.54418734E+04 4.76773325E+00 2.50000000E+00 4.49968562E-16-1.26455356E-18 3
1.31186362E-21-4.54562432E-25 8.54418734E+04 4.76773325E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: propyne)
C3H4-P C 3H 4 G 250.000 5000.000 995.043 1
6.44971528E+00 1.03184434E-02-3.40351205E-06 5.16758602E-10-2.96533283E-14 2
1.94543773E+04-1.11089647E+01 3.71847655E+00 6.55340915E-03 2.44989828E-05 3
-3.30692699E-08 1.21501552E-11 2.07278470E+04 5.72194160E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: HCCCH(T))
C3H2 C 3H 2 G 250.000 5000.000 995.043 1
6.98595016E+00 5.22566157E-03-1.89497613E-06 3.09223011E-10-1.87480056E-14 2
6.34899795E+04-8.97178906E+00 3.84347619E+00 2.58569362E-02-4.50539715E-05 3
3.73038830E-08-1.13432142E-11 6.37193762E+04 4.18343845E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: propen2yl)
C3H5-T C 3H 5 G 250.000 5000.000 995.043 1
6.15878356E+00 1.32231447E-02-4.59559368E-06 7.28076034E-10-4.31431095E-14 2
2.75581030E+04-7.08420979E+00 3.85047670E+00 6.32848760E-03 3.01796059E-05 3
-3.89063276E-08 1.40190269E-11 2.88181721E+04 8.06399178E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: propen1yl)
C3H5-S C 3H 5 G 250.000 5000.000 995.043 1
6.71125032E+00 1.24216352E-02-4.19775545E-06 6.51689483E-10-3.80546019E-14 2
2.91505939E+04-1.04282262E+01 3.74935366E+00 6.56664041E-03 3.14036283E-05 3
-4.11398282E-08 1.49689729E-11 3.06193339E+04 8.26488295E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: acetyloxy)
CH3CO2 C 2H 3O 2 G 250.000 5000.000 995.043 1
7.69851764E+00 9.36083259E-03-3.26278084E-06 5.17145685E-10-3.06152240E-14 2
-2.59358016E+04-1.39793905E+01 3.73532468E+00 4.96615842E-03 3.40036030E-05 3
-4.49803392E-08 1.65583554E-11-2.41408225E+04 1.01774445E+01 4
!Primary Thermo Library: DFT_QCI (Species ID: butene1)
C4H8-1 C 4H 8 G 250.000 5000.000 995.043 1
8.89413554E+00 2.04746212E-02-7.01098169E-06 1.09906651E-09-6.46335582E-14 2
-4.42990467E+03-2.17993178E+01 3.60528963E+00 1.33440794E-02 4.65372612E-05 3
-6.34525217E-08 2.33581029E-11-1.97185242E+03 1.07526677E+01 4
!Primary Thermo Library: DFT_QCI (Species ID: m1_allyl)
C4H71-3 C 4H 7 G 250.000 5000.000 995.043 1
9.00592483E+00 1.82962505E-02-6.29119816E-06 9.86908242E-10-5.80241836E-14 2
1.21946209E+04-2.24194410E+01 3.59557341E+00 1.17960970E-02 4.60927734E-05 3
-6.26412695E-08 2.30966904E-11 1.46698268E+04 1.06828242E+01 4
!Primary Thermo Library: DFT_QCI (Species ID: butadiene13)
C4H6 C 4H 6 G 250.000 5000.000 995.043 1
1.19556464E+01 1.22672423E-02-3.93122853E-06 5.85090162E-10-3.30143922E-14 2
7.85431705E+03-4.17640258E+01 3.25524335E+00 4.79625845E-03 7.13172330E-05 3
-9.27004253E-08 3.41754317E-11 1.16870812E+04 1.07260430E+01 4
!Estimated by RMG using Group Additivity
H2CC C 2H 2 G 250.000 5000.000 995.043 1
4.44135319E+00 9.92836069E-03-3.43132012E-06 5.14497247E-10-2.88580771E-14 2
4.75543887E+04-1.56564687E+00 3.72889177E+00-6.85337066E-03 5.14821573E-05 3
-5.61188803E-08 1.91852373E-11 4.86687487E+04 6.75512358E+00 4
!Primary Thermo Library: DFT_QCI (Species ID: butene2c)
C4H8-2 C 4H 8 G 250.000 5000.000 995.043 1
7.69729340E+00 2.21271108E-02-7.81940902E-06 1.25340203E-09-7.48830802E-14 2
-4.78864640E+03-1.51139519E+01 3.81168526E+00 1.19853557E-02 4.63039534E-05 3
-6.10275412E-08 2.21100641E-11-2.74003515E+03 1.00210298E+01 4
!Estimated by RMG using Group Additivity
C2H5CHCO C 4H 6O 1 G 250.000 5000.000 995.043 1
9.47021547E+00 1.82476323E-02-6.53635519E-06 1.05724137E-09-6.35543518E-14 2
-1.48244920E+04-2.17946602E+01 3.71988204E+00 2.03401963E-02 2.20013073E-05 3
-3.92960042E-08 1.54098008E-11-1.26393543E+04 1.11485839E+01 4
END
REACTIONS CAL/MOL MOLES
H+O2=O+OH 1.040e+14 0.00 15286.00
O+H2=H+OH 3.818e+12 0.00 7948.00
DUP
O+H2=H+OH 8.792e+14 0.00 19170.00
DUP
H2+OH=H2O+H 2.160e+08 1.51 3430.00
OH+OH=O+H2O 3.340e+04 2.42 -1930.00
H2O+H2O=H+OH+H2O 1.006e+26 -2.44 120180.00
HO2+H=H2+O2 2.750e+06 2.09 -1451.00
HO2+H=OH+OH 7.079e+13 0.00 295.00
HO2+O=O2+OH 2.850e+10 1.00 -723.93
HO2+OH=H2O+O2 2.890e+13 0.00 -497.00
HO2+HO2=H2O2+O2 4.200e+14 0.00 11982.00
DUP
HO2+HO2=H2O2+O2 1.300e+11 0.00 -1629.30
DUP
H2O2+H=H2O+OH 2.410e+13 0.00 3970.00
H2O2+H=HO2+H2 4.820e+13 0.00 7950.00
H2O2+O=OH+HO2 9.550e+06 2.00 3970.00
H2O2+OH=HO2+H2O 1.740e+12 0.00 318.00
DUP
H2O2+OH=HO2+H2O 7.590e+13 0.00 7270.00
DUP
H2+m=H+H+m 4.577e+19 -1.40 104380.00
H2/2.5/ H2O/12.0/ CO/1.9/ CO2/3.8/ AR/0.0/ He/0.0/
O+O+m=O2+m 6.165e+15 -0.50 0.00
H2/2.5/ H2O/12.0/ AR/0.0/ He/0.0/ CO/1.9/ CO2/3.8/
O+H+m=OH+m 4.714e+18 -1.00 0.00
H2/2.5/ H2O/12.0/ AR/0.75/ He/0.75/ CO/1.9/ CO2/3.8/
H2O+m=H+OH+m 6.064e+27 -3.32 120790.00
H2/3.0/ H2O/0.0/ He/1.1/ N2/2.0/ O2/1.5/ CO/1.9/ CO2/3.8/
H+O2(+m)=HO2(+m) 4.651e+12 0.44 0.00
H2/2.0/ H2O/14.0/ O2/0.78/ CO/1.9/ CO2/3.8/ AR/0.67/ He/0.8/
LOW/ 9.042e+19 -1.50 492.20/
TROE/ 0.5 1.0E-30 1.0E30 /
H2O2(+m)=OH+OH(+m) 2.000e+12 0.90 48749.00
H2/3.7/ H2O/7.5/ CO2/1.6/ N2/1.5/ O2/1.2/ He/0.65/ H2O2/7.7/
CO/2.8/
LOW/ 2.490e+24 -2.30 48749.00/
TROE/ 0.43 1.0E-30 1.0E30 /
C2H2+O=CH2+CO 2.170e+06 2.10 1569.52
C2H2+O=HCCO+H 5.060e+06 2.10 1569.52
C4H2+O=c-C3H2+CO 7.890e+12 0.00 1347.35
O2+CO=CO2+O 1.260e+13 0.00 47037.74
O2+CH=CO+OH 1.660e+13 0.00 0.00
O2+CH=CO2+H 1.660e+13 0.00 0.00
O2+CH2=CO2+H2 5.430e+12 0.00 1490.68
O2+CH2=CO2+H+H 5.430e+12 0.00 1490.68
O2+CH2=CO+OH+H 8.150e+12 0.00 1490.68
O2+CH2=CO+H2O 1.480e+12 0.00 1490.68
O2+CH2=CH2O+O 4.200e+12 0.00 1490.68
O2+CH2(S)=CO+OH+H 3.130e+13 0.00 0.00
O2+HCO=HO2+CO 5.120e+13 0.00 1693.74
O2+HCCO=CO+CO+OH 1.630e+12 0.00 855.23
CO+OH=CO2+H 1.660e+07 1.30 -764.45
CO+HO2=CO2+OH 1.510e+14 0.00 23655.04
CO+CH=HCCO 2.770e+11 0.00 -1708.07
CO2+CH=HCO+CO 3.430e+12 0.00 685.62
CO2+CH2=CH2O+CO 2.350e+10 0.00 0.00
CH2CO+H=CH3+CO 1.810e+13 0.00 3375.54
CH2CO+O=CH2+CO2 1.330e+12 0.00 1349.74
CH2CO+O=CH2O+CO 4.580e+11 0.00 1349.74
CH2CO+O=HCO+H+CO 2.520e+11 0.00 1349.74
CH2CO+O=HCO+HCO 2.520e+11 0.00 1349.74
CH2CO+OH=CH3+CO2 2.520e+12 0.00 0.00
CH2CO+OH=CH2OH+CO 4.680e+12 0.00 0.00
H+HCO=CO+H2 9.030e+13 0.00 0.00
H+HCCO=CH2+CO 1.510e+14 0.00 0.00
CH+O=CO+H 3.970e+13 0.00 0.00
CH3+HCO=CH4+CO 1.200e+14 0.00 0.00
C2H+O=CH+CO 1.000e+13 0.00 0.00
C2H+OH=CH2+CO 1.810e+13 0.00 0.00
C2H3+O=CO+CH3 3.000e+13 0.00 0.00
C3H3+O=C2H2+CO+H 1.390e+14 0.00 0.00
O+HCO=CO+OH 3.010e+13 0.00 0.00
O+HCCO=H+CO+CO 9.640e+13 0.00 0.00
OH+HCO=H2O+CO 1.020e+14 0.00 0.00
OH+HCCO=HCO+HCO 1.000e+13 0.00 0.00
OH+HCCO=CH2O+CO 1.000e+13 0.00 0.00
HCO+HCO=CH2O+CO 3.010e+13 0.00 0.00
HCCO+HCCO=C2H2+CO+CO 1.000e+13 0.00 0.00
CH+HCCO=C2H2+CO 5.000e+13 0.00 0.00
CH2+O=CO+H+H 7.200e+13 0.00 0.00
CH2+O=CO+H2 4.800e+13 0.00 0.00
CH2+HCO=CH3+CO 1.810e+13 0.00 0.00
CH2+HCCO=C2H3+CO 3.000e+13 0.00 0.00
O2+C2H=CO2+CH 9.050e+12 0.00 0.00
O+HCO=CO2+H 3.010e+13 0.00 0.00
CH4+CH=C2H4+H 3.010e+13 0.00 -396.56
C2H2+CH=C2H+CH2 2.110e+14 0.00 -121.83
C2H4+CH=C3H4-A+H 1.320e+14 0.00 -344.00
C2H6+CH=C2H4+CH3 1.080e+14 0.00 -262.78
CH2O+CH=CH2+HCO 9.640e+13 0.00 -516.01
H+CH2=CH+H2 6.020e+12 0.00 -1786.91
CH+CH2=C2H2+H 4.000e+13 0.00 0.00
CH+CH3=C2H3+H 3.000e+13 0.00 0.00
CH+C2H3=CH2+C2H2 5.000e+13 0.00 0.00
CH+OH=HCO+H 3.000e+13 0.00 0.00
CH2+CH2=C2H2+H2 1.200e+13 0.00 795.51
CH2+CH2=C2H2+H+H 1.080e+14 0.00 795.51
CH2+CH3=C2H4+H 4.220e+13 0.00 0.00
CH2+C2H3=C2H2+CH3 1.810e+13 0.00 0.00
CH2+OH=CH2O+H 1.810e+13 0.00 0.00
CH2+HCCO=C2H+CH2O 1.000e+13 0.00 1999.52
CH4+CH2=CH3+CH3 4.300e+12 0.00 10033.44
CH4+CH2(S)=CH3+CH3 7.000e+13 0.00 0.00
C2H2+CH2=C3H4-A 1.200e+13 0.00 6614.91
C2H2+CH2(S)=C3H3+H 1.750e+14 0.00 0.00
H+CH2(S)=CH2+H 2.000e+14 0.00 0.00
H2+CH2(S)=CH3+H 7.230e+13 0.00 0.00
C2H4+CH2(S)=C3H6 9.640e+13 0.00 0.00
C2H6+CH2(S)=CH3+C2H5 2.400e+14 0.00 0.00
CH3+OH=CH2(S)+H2O 7.230e+13 0.00 2780.70
C2H2+C2H2=C4H3-I+H 2.000e+09 0.00 57811.75
C2H2+C2H=C4H2+H 9.030e+13 0.00 0.00
C2H4+O=H+CH2CHO 4.740e+06 1.88 179.17
C2H4+O=CH3+HCO 8.130e+06 1.88 179.17
C2H4+O=CH2CO+H2 6.800e+05 1.88 179.17
C4H2+OH=c-C3H2+HCO 6.680e+12 0.00 -408.50
O2+H+H2O=HO2+H2O 6.890e+15 0.00 -2085.52
O2+CH3=CH2O+OH 3.310e+11 0.00 8939.32
O2+C2H=HCCO+O 9.050e+12 0.00 0.00
O2+c-C3H2=HCO+HCCO 1.000e+13 0.00 0.00
O2+C3H3=CH2CO+HCO 3.010e+10 0.00 2866.70
CH3+CH3=C2H5+H 3.010e+13 0.00 13506.93
H+HO2=H2O+O 3.010e+13 0.00 1720.02
H+CH2OH=CH3+OH 1.020e+13 0.00 0.00
CH3+O=CH2O+H 8.430e+13 0.00 0.00
CH3+HO2=CH3O+OH 1.800e+13 0.00 0.00
C2H+OH=HCCO+H 2.000e+13 0.00 0.00
C2H5+O=CH2O+CH3 6.620e+13 0.00 0.00
O2+CH3=CH3O+O 4.400e+13 0.00 31383.18
CH4+O=CH3+OH 7.230e+08 1.56 8480.65
CH4+OH=CH3+H2O 1.570e+07 1.83 2780.70
C2H2+OH=C2H+H2O 6.000e+13 0.00 12909.70
C2H4+H=C2H3+H2 5.420e+14 0.00 14897.28
C2H4+OH=C2H3+H2O 2.050e+13 0.00 5938.84
C2H6+H=C2H5+H2 1.450e+09 1.50 7408.03
C2H6+CH3=C2H5+CH4 1.510e-07 6.00 6043.96
C2H6+O=C2H5+OH 1.000e+09 1.50 5800.29
C2H6+OH=C2H5+H2O 7.230e+06 2.00 864.79
C2H6+HO2=H2O2+C2H5 1.320e+13 0.00 20456.28
O2+CH2O=HCO+HO2 6.020e+13 0.00 40637.84
O2+CH3O=CH2O+HO2 2.170e+10 0.00 1748.69
CH2O+H=HCO+H2 1.260e+08 1.62 2164.36
CH2O+CH3=CH4+HCO 4.090e+12 0.00 8827.04
CH2O+O=HCO+OH 4.160e+11 0.57 2761.59
CH2O+OH=HCO+H2O 3.430e+09 1.18 -446.73
H+CH3O=CH2O+H2 1.810e+13 0.00 0.00
C4H10+HO2=PC4H9+H2O2 1.120e+13 0.00 19374.10
C4H10+HO2=SC4H9+H2O2 6.760e+12 0.00 16985.19
C4H10+OH=PC4H9+H2O 3.310e+07 1.80 953.18
C4H10+OH=SC4H9+H2O 5.360e+06 2.00 -594.84
O2+C2H3=HCO+CH2O 4.560e+16 -1.39 1008.12
CO+O+m=CO2+m 1.540e+15 0.00 3000.48
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
C2H6/3.0/ AR/0.35/
CH2O+m=HCO+H+m 1.400e+36 -5.54 96650.74
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
C2H6/3.0/ AR/0.35/
CH2O+m=H2+CO+m 3.260e+36 -5.54 96650.74
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
C2H6/3.0/ AR/0.35/
CH2CO+m=CH2+CO+m 6.570e+15 0.00 57580.03
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
C2H6/3.0/ AR/0.35/
CH2(S)+m=CH2+m 1.510e+13 0.00 0.00
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/0.48/
C2H2/3.2/ C2H4/1.6/ C2H6/1.44/ AR/0.24/
CH3+m=CH2+H+m 2.910e+16 0.00 90573.34
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
C2H6/3.0/ AR/0.35/
C2H4+m=C2H2+H2+m 9.970e+16 0.00 71505.02
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
C2H6/3.0/ AR/0.35/
C2H4+m=C2H3+H+m 7.400e+17 0.00 96533.68
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
C2H6/3.0/ AR/0.35/
CH3O+m=CH2O+H+m 1.550e+14 0.00 13487.82
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
C2H6/3.0/ AR/0.35/
CH2OH+m=CH2O+H+m 1.260e+16 0.00 30004.78
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
C2H6/3.0/ AR/0.35/
C2H2+H(+m)=C2H3(+m) 8.430e+12 0.00 2582.42
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
C2H6/3.0/ AR/0.35/
LOW/ 3.430e+18 0.00 1469.18/
TROE/ 1.0 1.0 1.0 1231.0 /
C2H4+H(+m)=C2H5(+m) 3.970e+09 1.28 1290.01
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
C2H6/3.0/ AR/0.35/
LOW/ 1.350e+19 0.00 754.90/
TROE/ 0.76 40.0 1025.0 /
!H+CH3(+m)=CH4(+m) 1.688e+14 0.00 0.00
!N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
!C2H6/3.0/ AR/0.35/
!LOW/ 1.408e+24 -1.80 0.00/
!TROE/ 0.37 3315.0 61.0 /
!REF:GRI from Aramco
!CH3+H(+M)<=>CH4(+M) 1.270E+016 -0.630 383.0
!LOW/ 2.477E+033 -4.760 2440.0/
!TROE/ 7.830E-001 7.400E+001 2.941E+003 6.964E+003/
!H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/
!REF:GRI from GRI3.0
H+CH3(+M)<=>CH4(+M) 13.90E+15 -.534 536.00
LOW / 2.620E+33 -4.760 2440.00/
TROE/ .7830 74.00 2941.00 6964.00 /
H2/2.00/ H2O/6.00/ CH4/3.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/
CH3+CH3(+m)=C2H6(+m) 3.610e+13 0.00 0.00
N2/0.4/ O2/0.4/ CO/0.75/ CO2/1.5/ H2O/6.5/ CH4/3.0/
C2H6/3.0/ AR/0.35/
LOW/ 3.630e+41 -7.00 2761.59/
TROE/ 0.62 73.0 1180.0 /
H+H+H2=H2+H2 1.000e+17 -0.60 0.00
H+H+H2O=H2+H2O 1.000e+19 -1.00 0.00
HOCO+OH=CO2+H2O 4.600e+12 0.00 -89.00
DUP
HOCO+OH=CO2+H2O 9.500e+06 2.00 -89.00
DUP
HOCO+OH=CO+H2O2 1.000e+13 0.00 0.00
HOCO+O2=CO2+HO2 9.900e+11 0.00 0.00
CH2O+HO2=HCO+H2O2 4.100e+04 2.50 10206.00
HCO+HO2=CO2+OH+H 3.000e+13 0.00 0.00
CH4+H=CH3+H2 4.100e+03 3.16 8755.00
CH4+HO2=CH3+H2O2 4.700e+04 2.50 21000.00
CH3+H=CH2+H2 9.000e+13 0.00 15100.00
CH3+O=H2+CO+H 1.500e+13 0.00 0.00
CH3+OH=CH2+H2O 1.100e+03 3.00 2780.00
CH3+HO2=CH4+O2 1.200e+05 2.23 -3020.00
CH2(S)+O=CO+H+H 3.000e+13 0.00 0.00
CH2(S)+OH=CH2O+H 3.000e+13 0.00 0.00
CH2(S)+H2O=CH2+H2O 3.000e+13 0.00 0.00
CH2(S)+CO2=CH2O+CO 1.100e+13 0.00 0.00
CH3OH+H=CH2OH+H2 2.900e+09 1.24 4491.00
CH3OH+H=CH3O+H2 5.100e+08 1.24 4491.00
CH3OH+O=CH2OH+OH 2.100e+13 0.00 5305.00
CH3OH+O=CH3O+OH 3.700e+12 0.00 5305.00
CH3OH+OH=CH2OH+H2O 1.500e+08 1.44 113.00
CH3OH+OH=CH3O+H2O 2.700e+07 1.44 113.00
CH3OH+HO2=CH2OH+H2O2 2.000e+13 0.00 15000.00
CH3OH+O2=CH2OH+HO2 6.000e+13 0.00 46600.00
CH3OH+O2=CH3O+HO2 6.000e+13 0.00 54800.00
CH2OH+H=CH2O+H2 1.400e+13 0.00 0.00
CH2OH+O=CH2O+OH 6.600e+13 0.00 -693.00
CH2OH+OH=CH2O+H2O 2.400e+13 0.00 0.00
CH2OH+HO2=CH2O+H2O2 1.200e+13 0.00 0.00
CH2OH+O2=CH2O+HO2 7.200e+13 0.00 3736.00
DUP
CH2OH+O2=CH2O+HO2 2.900e+16 -1.50 0.00
DUP
CH2OH+HCO=CH3OH+CO 1.000e+13 0.00 0.00
CH2OH+HCO=CH2O+CH2O 1.500e+13 0.00 0.00
CH2OH+CH2O=CH3OH+HCO 5.500e+03 2.81 5862.00
CH2OH+CH2OH=CH3OH+CH2O 4.800e+12 0.00 0.00
CH2OH+CH3O=CH3OH+CH2O 2.400e+12 0.00 0.00
CH2OH+CH4=CH3OH+CH3 2.200e+01 3.10 16227.00
CH3O+H=CH3+OH 4.600e+12 0.00 745.00
CH3O+O=CH2O+OH 3.800e+12 0.00 0.00
CH3O+OH=CH2O+H2O 1.800e+13 0.00 0.00
CH3O+HO2=CH2O+H2O2 3.000e+11 0.00 0.00
CH3O+CO=CH3+CO2 9.500e+25 -4.93 9080.00
CH3O+CH3=CH2O+CH4 2.400e+13 0.00 0.00
CH3O+CH4=CH3OH+CH3 1.300e+14 0.00 15073.00
CH3O+CH2O=CH3OH+HCO 1.000e+11 0.00 2981.00
CH3O+CH3O=CH3OH+CH2O 6.000e+13 0.00 0.00
CH3O2H+H=CH2O+OH+H2 5.400e+10 0.00 1860.00
CH3O2H+H=CH3O2+H2 5.400e+10 0.00 1860.00
CH3O2H+H=CH3O+H2O 1.200e+10 0.00 1860.00
CH3O2H+O=CH2O+OH+OH 1.600e+13 0.00 4750.00
CH3O2H+O=CH3O2+OH 8.700e+12 0.00 4750.00
CH3O2H+OH=CH3O2+H2O 1.100e+12 0.00 -437.00
CH3O2H+OH=CH2O+OH+H2O 7.200e+11 0.00 -258.00
CH3O2H+HO2=CH3O2+H2O2 4.100e+04 2.50 10206.00
CH3O2+H=CH3O+OH 1.000e+14 0.00 0.00
CH3O2+O=CH3O+O2 1.600e+13 0.00 -445.00
CH3O2+OH=CH3OH+O2 2.000e+15 -0.60 0.00
CH3O2+OH=CH3O+HO2 4.000e+11 0.60 0.00
CH3O2+HO2=CH3O2H+O2 2.500e+11 0.00 -1490.00
CH3O2+CH3=CH3O+CH3O 5.100e+12 0.00 -1411.00
CH3O2+CH4=CH3O2H+CH3 4.700e+04 2.50 21000.00
CH3O2+HCO=CH3O+H+CO2 3.000e+13 0.00 0.00
CH3O2+CO=CH3O+CO2 1.600e+05 2.18 17940.00
CH3O2+CH2O=CH3O2H+HCO 4.100e+04 2.50 10206.00
CH3O2+CH3O=CH2O+CH3O2H 3.000e+11 0.00 0.00
CH3O2+CH3OH=CH3O2H+CH2OH 4.000e+13 0.00 19400.00
CH3O2+CH3O2=CH3O+CH3O+O2 1.100e+18 -2.40 1800.00
DUP
CH3O2+CH3O2=CH3O+CH3O+O2 7.000e+10 0.00 800.00
DUP
CH3O2+CH3O2=CH3OH+CH2O+O2 2.000e+11 -0.55 -1600.00
CH3O2+C2H5=CH3O+C2H5O 5.100e+12 0.00 -1410.00
CH3O2+C2H6=CH3O2H+C2H5 1.900e+01 3.64 17100.00
CH3OH(+m)=CH3+OH(+m) 2.100e+18 -0.61 92540.00
N2/1.0/ H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/
C2H6/3.0/
LOW/ 2.600e+49 -8.80 101500.00/
TROE/ 0.7656 1910.0 59.51 9374.0 /
CH2OH+H(+m)=CH3OH(+m) 4.300e+15 -0.79 0.00
N2/1.0/ H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/
C2H6/3.0/
LOW/ 3.844e+37 -6.21 1333.00/
TROE/ 0.25 210.0 1434.0 1.0E30 /
CH3O+H(+m)=CH3OH(+m) 2.400e+12 0.52 50.00
N2/1.0/ H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/
C2H6/3.0/
LOW/ 4.660e+41 -7.44 14080.00/
TROE/ 0.7 100.0 90000.0 10000.0 /
CO+OH=HOCO 6.000e+26 -5.60 2881.00
PLOG / 0.001 1.00e+25 -6.0 2981.0 /
PLOG / 1.0 6.00e+26 -5.6 2881.0 /
PLOG / 3.0 2.20e+27 -5.6 3239.0 /
PLOG / 10.0 1.50e+25 -5.0 1987.0 /
PLOG / 20.0 4.20e+26 -5.7 1927.0 /
PLOG / 50.0 4.90e+25 -5.2 1987.0 /
PLOG / 80.0 5.20e+25 -5.2 1987.0 /
PLOG / 100.0 1.10e+28 -6.0 2384.0 /
PLOG / 650.0 3.20e+41 -10.0 6955.0 /
PLOG / 2000.0 5.50e+44 -11.0 7948.0 /
DUP
CO+OH=HOCO 0.000e+00 0.00 0.00
PLOG / 0.001 0.00e+00 0.0 0.0 /
PLOG / 1.0 0.00e+00 0.0 0.0 /
PLOG / 3.0 0.00e+00 0.0 0.0 /
PLOG / 10.0 1.30e+37 -8.4 7948.0 /
PLOG / 20.0 7.50e+28 -6.0 3775.0 /
PLOG / 50.0 4.00e+38 -9.0 6955.0 /
PLOG / 80.0 7.70e+35 -8.0 6557.0 /
PLOG / 100.0 1.80e+36 -8.0 7153.000000000001 /
PLOG / 650.0 2.90e+66 -17.1 19870.0 /
PLOG / 2000.0 2.70e+67 -17.0 22851.0 /
DUP
CO+OH=HOCO 0.000e+00 0.00 0.00
PLOG / 0.001 0.00e+00 0.0 0.0 /
PLOG / 1.0 0.00e+00 0.0 0.0 /
PLOG / 3.0 0.00e+00 0.0 0.0 /
PLOG / 10.0 0.00e+00 0.0 0.0 /
PLOG / 20.0 4.00e+39 -9.0 9935.0 /
PLOG / 50.0 5.00e+43 -10.0 13015.0 /
PLOG / 80.0 9.00e+47 -11.2 15499.0 /
PLOG / 100.0 2.00e+54 -13.0 19671.0 /
PLOG / 650.0 2.00e+63 -15.2 27421.0 /
PLOG / 2000.0 1.00e+74 -18.0 37157.0 /
DUP
! For the above reaction, deltaHrxn(T=298K) = -26.7 kcal/mol
HOCO=CO2+H 3.500e+56 -15.00 46500.00
PLOG / 1.0 3.50e+56 -15.0 46500.0 /
PLOG / 10.0 3.20e+57 -15.0 46500.0 /
PLOG / 20.0 6.00e+57 -15.0 46500.0 /
PLOG / 50.0 1.40e+58 -15.0 46500.0 /
PLOG / 100.0 2.80e+58 -15.0 46500.0 /
DUP
HOCO=CO2+H 2.500e+69 -18.00 60000.00
PLOG / 1.0 2.50e+69 -18.0 60000.0 /
PLOG / 10.0 2.20e+70 -18.0 60000.0 /
PLOG / 20.0 4.30e+70 -18.0 60000.0 /
PLOG / 50.0 1.00e+71 -18.0 60000.0 /
PLOG / 100.0 2.00e+71 -18.0 60000.0 /
DUP
! For the above reaction, deltaHrxn(T=298K) = +1.7 kcal/mol
!REF:li et al. ijck 2007 *1.2
!HCO+M<=>H+CO+M 5.700E+011 0.660 14870.0
!H2/ 2.00/ H2O/ 12.00/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/
!REF: GRI3.0 (H2O: 0.0 -> 2.0)
HCO+M<=>H+CO+M 1.870E+17 -1.000 17000.00
H2/2.00/ H2O/ 2.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/
!REF: Curran (DME)
!HCO+M = H+CO+M 1.860E+17 -1.00 1.700E+04
! rev / 6.467E+13 0.00 -4.420E+02 /
! H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/
!HCO=H+CO 9.900e+11 -0.865 16755.00
!PLOG / 1.0 9.90e+11 -0.865 16755.0 /
!PLOG / 10.0 7.20e+12 -0.865 16755.0 /
!PLOG / 20.0 1.30e+13 -0.865 16755.0 /
!PLOG / 50.0 2.90e+13 -0.865 16755.0 /
!PLOG / 100.0 5.30e+13 -0.865 16755.0 /
! For the above reaction, deltaHrxn(T=298K) = +15.6 kcal/mol
CH3+O2=CH3O2 5.000e+22 -3.85 2000.00
PLOG / 1.0 5.00e+22 -3.85 2000.0 /
PLOG / 10.0 3.40e+21 -3.2 2300.0000000000005 /
PLOG / 20.0 4.10e+20 -2.94 1900.0000000000002 /
PLOG / 50.0 2.80e+18 -2.2 1400.0000000000002 /
PLOG / 100.0 1.10e+19 -2.3 1800.0 /
DUP
CH3+O2=CH3O2 0.000e+00 0.00 0.00
PLOG / 1.0 0.00e+00 0.0 0.0 /
PLOG / 10.0 0.00e+00 0.0 0.0 /
PLOG / 20.0 3.30e+29 -5.6 6850.000000000001 /
PLOG / 50.0 5.60e+28 -5.25 6850.000000000001 /
PLOG / 100.0 4.10e+30 -5.7 8750.0 /
DUP
! For the above reaction, deltaHrxn(T=298K) = -31.8 kcal/mol
CH3O2H=CH3O+OH 2.000e+35 -6.70 47450.00
PLOG / 1.0 2.00e+35 -6.7 47450.0 /
PLOG / 10.0 1.10e+28 -4.15 46190.0 /
PLOG / 50.0 2.80e+26 -3.5 46340.0 /
PLOG / 1000.0 2.20e+17 -0.42 44622.0 /
! For the above reaction, deltaHrxn(T=298K) = +44.0 kcal/mol
H+C2H(+m)=C2H2(+m) 1.000e+17 -1.00 0.00
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
AR/0.7/
LOW/ 3.750e+33 -4.80 1900.00/
TROE/ 0.6464 132.0 1315.0 5566.0 /
H+C2H5(+m)=C2H6(+m) 5.210e+17 -0.99 1580.00
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
AR/0.7/
LOW/ 1.990e+41 -7.08 6685.00/
TROE/ 0.8422 125.0 2219.0 6882.0 /
CH2(S)+H2O(+m)=CH3OH(+m) 4.820e+17 -1.16 1145.00
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
LOW/ 1.880e+38 -6.36 5040.00/
TROE/ 0.6027 208.0 3922.0 10180.0 /
CH+H2(+m)=CH3(+m) 1.970e+12 0.43 -370.00
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
AR/0.7/
LOW/ 4.820e+25 -2.80 590.00/
TROE/ 0.578 122.0 2535.0 9365.0 /
H+CH2CO(+m)=CH2CHO(+m) 4.865e+11 0.42 -1755.00
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
AR/0.7/
LOW/ 1.012e+42 -7.63 3854.00/
TROE/ 0.465 201.0 1773.0 5333.0 /
CH3+C2H5(+m)=C3H8(+m) 9.430e+12 0.00 0.00
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
AR/0.7/
LOW/ 2.710e+74 -16.82 13065.00/
TROE/ 0.1527 291.0 2742.0 7748.0 /
C2H5OH(+m)=CH2OH+CH3(+m) 5.710e+23 -1.68 94400.00
H2/2.0/ H2O/5.0/ CO/2.0/ CO2/3.0/
LOW/ 3.110e+85 -18.84 113100.00/
TROE/ 0.5 550.0 825.0 6100.0 /
C2H5OH(+m)=C2H5+OH(+m) 2.400e+23 -1.62 99540.00
H2/2.0/ H2O/5.0/ CO/2.0/ CO2/3.0/
LOW/ 5.110e+85 -18.80 118770.00/
TROE/ 0.5 650.0 800.0 1.0E15 /
C2H5OH(+m)=C2H4+H2O(+m) 2.790e+13 0.09 66140.00
H2O/5.0/
LOW/ 2.570e+83 -18.85 86453.00/
TROE/ 0.7 350.0 800.0 3800.0 /
C2H5OH(+m)=CH3CHO+H2(+m) 7.240e+11 0.10 91010.00
H2O/5.0/
LOW/ 4.460e+87 -19.42 115580.00/
TROE/ 0.9 900.0 1100.0 3500.0 /
CH3OCH3(+m)=CH3+CH3O(+m) 4.848e+21 -1.56 83130.00
LOW/ 1.118e+71 -14.53 100430.00/
TROE/ 0.843 9.49E9 556.36 6.71E9 /
C3H5-A+H(+m)=C3H6(+m) 2.000e+14 0.00 0.00
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
AR/0.7/
LOW/ 1.330e+60 -12.00 5967.80/
TROE/ 0.02 1096.6 1096.6 6859.5 /
C2H3+CH3(+m)=C3H6(+m) 2.500e+13 0.00 0.00
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
AR/0.7/ C2H2/3.0/ C2H4/3.0/
LOW/ 4.270e+58 -11.94 9769.80/
TROE/ 0.175 1340.6 60000.0 10139.8 /
C4H10(+m)=C2H5+C2H5(+m) 2.720e+15 0.00 75610.00
LOW/ 4.720e+18 0.00 49576.00/
TROE/ 0.72 1500.0 1.0E-10 1.0E10 /
C4H10(+m)=NC3H7+CH3(+m) 4.280e+14 0.00 69900.00
LOW/ 5.340e+17 0.00 42959.00/
TROE/ 0.72 1500.0 1.0E-10 1.0E10 /
CH3OCHO(+m)=CH3OH+CO(+m) 2.000e+13 0.00 60000.00
H2/3.0/ H2O/6.0/ O2/1.1/ CO/2.7/ CO2/5.4/ He/1.2/
LOW/ 2.400e+59 -11.80 71400.00/
TROE/ 0.23991 555.1095 8.336781E9 8.213938E9 /
CH3OCHO(+m)=CH4+CO2(+m) 1.500e+12 0.00 59700.00
H2/3.0/ H2O/6.0/ O2/1.1/ CO/2.7/ CO2/5.4/ He/1.2/
LOW/ 5.630e+61 -12.79 71100.00/
TROE/ 0.1794047 357.5408 9.918709E9 3.289899E9 /
CH3OCHO(+m)=CH2O+CH2O(+m) 1.000e+12 0.00 60500.00
H2/3.0/ H2O/6.0/ O2/1.1/ CO/2.7/ CO2/5.4/ He/1.2/
LOW/ 1.550e+57 -11.57 71700.00/
TROE/ 0.7807451 6.490132E9 618.799 6.710101E9 /
CH3OCHO(+m)=CH3O+HCO(+m) 4.180e+16 0.00 97000.00
H2/3.0/ H2O/6.0/ O2/1.1/ CO/2.7/ CO2/5.4/ He/1.2/
LOW/ 5.270e+63 -12.32 109180.00/
TROE/ 0.89375 7.4991E9 647.04 6.698E8 /
CH3CO(+m)=CH3+CO(+m) 3.000e+12 0.00 16720.00
LOW/ 1.200e+15 0.00 12518.00/
CH3CO2+m=CH3+CO2+m 4.400e+15 0.00 10500.00
C3H5-A+CH3(+m)=C4H8-1(+m) 1.000e+14 -0.32 -262.30
H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
AR/0.7/
LOW/ 3.910e+60 -12.81 6250.00/
TROE/ 0.104 1606.0 60000.0 6118.4 /
O+CH2=H+HCO 8.000e+13 0.00 0.00
O+CH2(S)=H2+CO 1.500e+13 0.00 0.00
O+CH2(S)=H+HCO 1.500e+13 0.00 0.00
O+C2H2=OH+C2H 4.600e+19 -1.41 28950.00
O+C2H3=H+CH2CO 3.000e+13 0.00 0.00
O+CH2CO=OH+HCCO 1.000e+13 0.00 8000.00
H+O2+O2=HO2+O2 2.080e+19 -1.24 0.00
H+H+CO2=H2+CO2 5.500e+20 -2.00 0.00
H+CH2(S)=CH+H2 3.000e+13 0.00 0.00
H+CH2OH=CH2(S)+H2O 3.280e+13 -0.09 610.00
H+CH3O=H+CH2OH 4.150e+07 1.63 1924.00
H+CH3O=CH2(S)+H2O 2.620e+14 -0.23 1070.00
H+C2H3=H2+C2H2 3.000e+13 0.00 0.00
H+C2H5=H2+C2H4 2.000e+12 0.00 0.00
H+HCCO=CH2(S)+CO 1.000e+14 0.00 0.00
H+CH2CO=HCCO+H2 5.000e+13 0.00 8000.00
OH+CH2=CH+H2O 1.130e+07 2.00 3000.00
OH+C2H2=H+CH2CO 2.180e-04 4.50 -1000.00
OH+C2H2=CH3+CO 4.830e-04 4.00 -2000.00
OH+C2H3=H2O+C2H2 5.000e+12 0.00 0.00
OH+CH2CO=HCCO+H2O 7.500e+12 0.00 2000.00
HO2+CH2=OH+CH2O 2.000e+13 0.00 0.00
CH+O2=O+HCO 6.710e+13 0.00 0.00
CH+H2O=H+CH2O 5.710e+12 0.00 -755.00
CH+CH2O=H+CH2CO 9.460e+13 0.00 -515.00
CH2(S)+O2=CO+H2O 1.200e+13 0.00 0.00
CH2(S)+CH3=H+C2H4 1.200e+13 0.00 -570.00
CH2(S)+CO=CH2+CO 9.000e+12 0.00 0.00
CH2(S)+CO2=CH2+CO2 7.000e+12 0.00 0.00
CH3+C2H4=C2H3+CH4 2.270e+05 2.00 9200.00
HCO+H2O=H+CO+H2O 1.500e+18 -1.00 17000.00
C2H+O2=HCO+CO 1.000e+13 0.00 -755.00
C2H+H2=H+C2H2 5.680e+10 0.90 1993.00
C2H5+O2=HO2+C2H4 8.400e+11 0.00 3875.00
O+C2H5=H+CH3CHO 1.096e+14 0.00 0.00
OH+CH3=>H2+CH2O 8.000e+09 0.50 -1755.00
CH2(S)+H2O=>H2+CH2O 6.820e+10 0.25 -935.00
C2H3+O2=O+CH2CHO 3.030e+11 0.29 11.00
C2H3+O2=HO2+C2H2 1.337e+06 1.61 -384.00
O+CH3CHO=OH+CH2CHO 2.920e+12 0.00 1808.00
O+CH3CHO=>OH+CH3+CO 2.920e+12 0.00 1808.00
O2+CH3CHO=>HO2+CH3+CO 3.010e+13 0.00 39150.00
H+CH3CHO=CH2CHO+H2 2.050e+09 1.16 2405.00
H+CH3CHO=>CH3+H2+CO 2.050e+09 1.16 2405.00
OH+CH3CHO=>CH3+H2O+CO 2.343e+10 0.73 -1113.00
HO2+CH3CHO=>CH3+H2O2+CO 3.010e+12 0.00 11923.00
CH3+CH3CHO=>CH3+CH4+CO 2.720e+06 1.77 5920.00
DUP
O+CH2CHO=>H+CH2+CO2 1.500e+14 0.00 0.00
O2+CH2CHO=>OH+CO+CH2O 1.810e+10 0.00 0.00
O2+CH2CHO=>OH+HCO+HCO 2.350e+10 0.00 0.00
H+CH2CHO=CH3+HCO 2.200e+13 0.00 0.00
H+CH2CHO=CH2CO+H2 1.100e+13 0.00 0.00
OH+CH2CHO=H2O+CH2CO 1.200e+13 0.00 0.00
OH+CH2CHO=HCO+CH2OH 3.010e+13 0.00 0.00
HCO+HCO=H2+CO+CO 3.000e+12 0.00 0.00
CH3O+HCO=CH3OH+CO 9.000e+13 0.00 0.00
CH3O+CH3OH=CH3OH+CH2OH 3.000e+11 0.00 4060.00
CH2+O2=HCO+OH 1.320e+13 0.00 1500.00
C2H6+O2=C2H5+HO2 6.030e+13 0.00 51870.00
C2H6+CH3O=C2H5+CH3OH 2.410e+11 0.00 7090.00
C2H6+CH=C2H5+CH2 1.100e+14 0.00 -260.00
C2H4+C2H4=C2H5+C2H3 4.820e+14 0.00 71530.00
CH3+C2H5=CH4+C2H4 1.180e+04 2.45 -2921.00
C2H5+HO2=C2H5O+OH 1.100e+13 0.00 0.00
C2H5O+O2=CH3CHO+HO2 4.280e+10 0.00 1097.00
CH3+CH2O=C2H5O 3.000e+11 0.00 6336.00
CH3CHO+H=C2H5O 8.000e+12 0.00 6400.00
C2H5+O2=CH3CHO+OH 8.265e+02 2.41 5285.00
CH3+HCO=CH3CHO 1.750e+13 0.00 0.00
CH3CHO+OH=CH2CHO+H2O 1.720e+05 2.40 815.00
CH2(S)+CH2CO=C2H4+CO 1.600e+14 0.00 0.00
HCCO+OH=H2+CO+CO 1.000e+14 0.00 0.00
C2H4+O2=C2H3+HO2 4.000e+13 0.00 58200.00
C2H4+CH3O=C2H3+CH3OH 1.200e+11 0.00 6750.00
C2H4+CH3O2=C2H3+CH3O2H 2.230e+12 0.00 17190.00
CH3+C2H3=CH4+C2H2 3.920e+11 0.00 0.00
C2H2+O2=HCCO+OH 2.000e+08 1.50 30100.00
C2H5OH+OH=C2H5O+H2O 7.460e+11 0.30 1634.00
C2H5OH+H=C2H5O+H2 1.500e+07 1.60 3038.00
C2H5OH+HO2=C2H5O+H2O2 2.500e+12 0.00 24000.00
C2H5OH+CH3O2=C2H5O+CH3O2H 2.500e+12 0.00 24000.00
C2H5OH+O=C2H5O+OH 1.580e+07 2.00 4448.00
C2H5OH+CH3=C2H5O+CH4 1.340e+02 2.92 7452.00
C3H6+O=C2H5+HCO 1.580e+07 1.76 -1216.00
C3H6+O=CH2CO+CH3+H 2.500e+07 1.76 76.00
C3H6+O=C3H5-A+OH 5.240e+11 0.70 5884.00
C3H6+OH=C3H5-A+H2O 3.120e+06 2.00 -298.00
C3H6+HO2=C3H5-A+H2O2 2.700e+04 2.50 12340.00
C3H6+H=C3H5-A+H2 1.730e+05 2.50 2490.00
C3H6+O2=C3H5-A+HO2 4.000e+12 0.00 39900.00
C3H6+CH3=C3H5-A+CH4 2.210e+00 3.50 5675.00
C3H6+C2H5=C3H5-A+C2H6 1.000e+11 0.00 9800.00
C3H6+CH3O2=C3H5-A+CH3O2H 3.240e+11 0.00 14900.00
C3H5-A+H=C3H4-A+H2 1.800e+13 0.00 0.00
C3H5-A+OH=C3H4-A+H2O 6.000e+12 0.00 0.00
C3H5-A+HCO=C3H6+CO 6.000e+13 0.00 0.00
C3H5-A+CH3=C3H4-A+CH4 3.000e+12 -0.32 -131.00
C3H5-A+C2H5=C2H6+C3H4-A 4.000e+11 0.00 0.00
C3H5-A+C2H5=C2H4+C3H6 4.000e+11 0.00 0.00
C3H5-A+C2H3=C2H4+C3H4-A 1.000e+12 0.00 0.00
C3H5-A+C3H5-A=C3H4-A+C3H6 8.430e+10 0.00 -262.00
C3H4-A+H=C3H3+H2 1.300e+06 2.00 5500.00
C3H4-A+O=C2H4+CO 2.000e+07 1.80 1000.00
C3H4-A+OH=C3H3+H2O 5.300e+06 2.00 2000.00
C3H4-A+CH3=C3H3+CH4 1.300e+12 0.00 7700.00
C3H4-A+C2H=C2H2+C3H3 1.000e+13 0.00 0.00
C3H4-A+C3H4-A=C3H5-A+C3H3 5.000e+14 0.00 64746.70
C3H4-A+C3H5-A=C3H3+C3H6 2.000e+11 0.00 7700.00
C3H3+H=C3H4-A 2.500e+12 0.00 0.00
C3H3+O=CH2O+C2H 2.000e+13 0.00 0.00
C3H3+HO2=OH+CO+C2H3 8.000e+11 0.00 0.00
C3H3+HO2=C3H4-A+O2 3.000e+11 0.00 0.00
C3H3+HCO=C3H4-A+CO 2.500e+13 0.00 0.00
C3H3+CH=C4H3-I+H 5.000e+13 0.00 0.00
C2H5+C2H=C3H3+CH3 1.810e+13 0.00 0.00
PC4H9+H=C4H10 3.610e+13 0.00 0.00
SC4H9+H=C4H10 3.610e+13 0.00 0.00
C4H10+O2=PC4H9+HO2 6.000e+13 0.00 52340.00
C4H10+O2=SC4H9+HO2 4.000e+13 0.00 49800.00
C4H10+C3H5-A=PC4H9+C3H6 7.940e+11 0.00 20500.00
C4H10+C3H5-A=SC4H9+C3H6 3.160e+11 0.00 16400.00
C4H10+C2H5=PC4H9+C2H6 1.580e+11 0.00 12300.00
C4H10+C2H5=SC4H9+C2H6 1.000e+11 0.00 10400.00
C4H10+C2H3=PC4H9+C2H4 1.000e+12 0.00 18000.00
C4H10+C2H3=SC4H9+C2H4 8.000e+11 0.00 16800.00
C4H10+CH3=PC4H9+CH4 9.040e-01 3.65 7154.00
C4H10+CH3=SC4H9+CH4 3.020e+00 3.46 5481.00
C4H10+H=PC4H9+H2 1.880e+05 2.75 6280.00
C4H10+H=SC4H9+H2 2.600e+06 2.40 4471.00
C4H10+O=PC4H9+OH 1.130e+14 0.00 7850.00
C4H10+O=SC4H9+OH 5.620e+13 0.00 5200.00
C4H10+CH3O=PC4H9+CH3OH 3.000e+11 0.00 7000.00
C4H10+CH3O=SC4H9+CH3OH 6.000e+11 0.00 7000.00
C4H10+C2H5O=PC4H9+C2H5OH 3.000e+11 0.00 7000.00
C4H10+C2H5O=SC4H9+C2H5OH 6.000e+11 0.00 7000.00
C4H10+PC4H9=SC4H9+C4H10 1.000e+11 0.00 10400.00
CH3O2+C4H10=CH3O2H+PC4H9 8.100e+04 2.50 16690.00
CH3O2+C4H10=CH3O2H+SC4H9 1.176e+05 2.50 14860.00
C2H5+C2H4=PC4H9 1.320e+04 2.48 6130.00
C3H6+CH3=SC4H9 1.760e+04 2.48 6130.00
C4H3-I+H=C4H2+H2 6.000e+13 0.00 0.00
C4H3-I+OH=C4H2+H2O 4.000e+12 0.00 0.00
C4H3-I+O2=HCCO+CH2CO 7.860e+16 -1.80 0.00
C4H3-I+CH2=C3H4-A+C2H 2.000e+13 0.00 0.00
C4H2+H=C4H3-I 1.100e+30 -4.92 10800.00
PC4H9+O2=PC4H9O2 4.520e+12 0.00 0.00
SC4H9+O2=SC4H9O2 7.540e+12 0.00 0.00
OH+CH2O=CH2O2H 2.300e+10 0.00 12900.00
C3H6+H=C2H4+CH3 8.000e+21 -2.39 11180.00
PLOG / 0.1 8.80e+16 -1.05 6461.0 /
PLOG / 1.0 8.00e+21 -2.39 11180.0 /
PLOG / 10.0 3.30e+24 -3.04 15610.000000000002 /
! For the above reaction, deltaHrxn(T=298K) = -9.1 kcal/mol
C3H5-A+O2=C3H4-A+HO2 4.990e+15 -1.40 22428.00
PLOG / 1.0 4.99e+15 -1.4 22428.0 /
PLOG / 10.0 2.18e+21 -2.85 30755.0 /
! For the above reaction, deltaHrxn(T=298K) = +7.5 kcal/mol
C2H2+CH3=C3H5-A 2.680e+53 -12.82 35730.00
PLOG / 1.0 2.68e+53 -12.82 35730.00000000001 /
PLOG / 2.0 3.64e+52 -12.46 36127.0 /
PLOG / 5.0 1.04e+51 -11.89 36476.0 /
! For the above reaction, deltaHrxn(T=298K) = -49.0 kcal/mol
C2H2+CH3=C3H4-A+H 5.140e+09 0.86 22153.00
PLOG / 1.0 5.14e+09 0.86 22153.0 /
PLOG / 2.0 1.33e+10 0.75 22811.0 /
PLOG / 5.0 9.20e+10 0.54 23950.0 /
! For the above reaction, deltaHrxn(T=298K) = +7.5 kcal/mol
C3H4-A+H=C3H5-A 1.520e+59 -13.54 26949.00
PLOG / 1.0 1.52e+59 -13.54 26949.0 /
PLOG / 2.0 3.78e+57 -12.98 26785.0 /
PLOG / 5.0 7.34e+54 -12.09 26187.0 /
! For the above reaction, deltaHrxn(T=298K) = -56.6 kcal/mol
O2+C3H5-A=C3H5O2 4.520e+12 0.00 0.00
O2+CH2CHO=HO2+CH2CO 6.978e+12 -0.07 2680.75
CH3OH+H=H2O+CH3 3.904e+01 4.36 19098.14
C2H5OH+H=H2O+C2H5 5.568e+03 3.20 20470.24
CH3OCH3+H=CH3+CH3OH 6.765e+04 2.91 24375.00
CH4+C2H=CH3+C2H2 1.812e+12 0.00 500.00
CH4+HCCO=CH3+CH2CO 6.360e+14 0.00 13700.00
CO+CH4=CH3CHO 6.560e+04 2.86 86900.00
DUP
CH3OH+CH2=CH2OH+CH3 2.721e+06 1.73 6190.00
CH3OH+CH2=CH3O+CH3 1.440e+01 3.10 6940.00
CH3OH+C2H=CH2OH+C2H2 1.806e+12 0.00 0.00
CH3OH+C2H=CH3O+C2H2 1.210e+12 0.00 0.00
CH3OH+C2H3=CH2OH+C2H4 1.506e+02 3.25 5193.65
CH3OH+C2H5=CH2OH+C2H6 7.079e+01 3.14 13824.62
CH3OH+HCCO=CH2OH+CH2CO 1.506e+02 3.25 5193.65
CH3OH+HCCO=CH3O+CH2CO 1.440e+01 3.10 6940.00
CH3OH+CH2CHO=CH2OH+CH3CHO 7.079e+01 3.14 13824.62
CH3OH+PC4H9=CH2OH+C4H10 7.079e+01 3.14 13824.62
CH3OH+SC4H9=CH2OH+C4H10 4.035e-01 3.83 14491.21
CH3OH+CH2O2H=CH2OH+CH3O2H 7.079e+01 3.14 13824.62
CH3OH+C2H5O=CH2OH+C2H5OH 2.336e+04 2.37 10827.50
CH3OH+C2H5O=CH3O+C2H5OH 5.670e-02 3.86 8760.00
CH3OH+C2H5=CH3+C2H5OH 1.764e+01 3.76 38997.61
C2H5OH+CH2=C2H5O+CH3 1.440e+01 3.10 6940.00
C2H5OH+C2H=C2H5O+C2H2 1.210e+12 0.00 0.00
C2H5OH+C2H3=C2H5O+C2H4 1.440e+01 3.10 6940.00
C2H5OH+HCCO=C2H5O+CH2CO 1.440e+01 3.10 6940.00
C2H5OH+CH2=C2H5+CH2OH 2.254e+02 3.22 35386.18
CH3OCH3+OH=CH3OCH2+H2O 9.350e+05 2.29 -781.00
CH3OCH3+H=CH3OCH2+H2 3.612e+04 2.88 2996.00
CH3OCH3+O=CH3OCH2+OH 7.750e+08 1.36 2250.00
CH3OCH3+HO2=CH3OCH2+H2O2 1.344e+13 0.00 17690.00
CH3OCH3+CH3O2=CH3OCH2+CH3O2H 1.344e+13 0.00 17690.00
CH3OCH3+CH3=CH3OCH2+CH4 1.445e-06 5.73 5699.00
CH3OCH3+O2=CH3OCH2+HO2 4.100e+13 0.00 44910.00
CH3OCH3+CH3O=CH3OCH2+CH3OH 6.020e+11 0.00 4074.00
CH3OCH2=CH2O+CH3 1.600e+13 0.00 25500.00
CH3OCH2+CH3O=CH3OCH3+CH2O 2.410e+13 0.00 0.00
CH3OCH2+CH2O=CH3OCH3+HCO 5.490e+03 2.80 5862.00
HOCO+CH3OCH2=CO2+CH3OCH3 1.287e+13 0.02 -151.93
CH3OCH3+CH2=CH3OCH2+CH3 5.443e+06 1.73 6190.00
CH3OCH3+C2H=CH3OCH2+C2H2 3.612e+12 0.00 0.00
CH3OCH3+C2H3=CH3OCH2+C2H4 3.013e+02 3.25 5193.65
CH3OCH3+C2H5=CH3OCH2+C2H6 1.416e+02 3.14 13824.62
CH3OCH2+C3H4-A=CH3OCH3+C3H3 1.157e+10 1.06 23350.00
CH3OCH3+CH2OH=CH3OCH2+CH3OH 1.416e+02 3.14 13824.62
CH3OCH3+HCCO=CH3OCH2+CH2CO 3.013e+02 3.25 5193.65
CH3OCH3+CH2CHO=CH3OCH2+CH3CHO 1.416e+02 3.14 13824.62
CH3OCH2+C3H6=CH3OCH3+C3H5-A 7.079e+01 3.14 13824.62
CH3OCH3+PC4H9=CH3OCH2+C4H10 1.416e+02 3.14 13824.62
CH3OCH3+SC4H9=CH3OCH2+C4H10 8.070e-01 3.83 14491.21
CH3OCH3+CH2O2H=CH3OCH2+CH3O2H 1.416e+02 3.14 13824.62
CH3OCH3+C2H5O=CH3OCH2+C2H5OH 4.673e+04 2.37 10827.50
CH3OCH2+H=CH3OCH3 5.000e+13 0.00 0.00
C2H5+CH3OCH2=C2H4+CH3OCH3 8.670e+12 0.00 0.00
C3H5-A+CH3OCH2=C3H4-A+CH3OCH3 2.851e+11 0.00 -195.00
CH2OH+CH3OCH2=CH2O+CH3OCH3 4.820e+12 0.00 0.00
CH2CHO+CH3OCH2=CH2CO+CH3OCH3 5.655e+12 -0.03 877.67
C2H5O+CH3OCH2=CH3CHO+CH3OCH3 1.514e+11 0.23 131.67
CH3OCH2+H=CH3OH+CH2 2.254e+02 3.22 35386.18
CH3O2+CH2=CH3OCH2+O 2.254e+02 3.22 35386.18
CH3O2H+CH2=CH3OCH2+OH 2.254e+02 3.22 35386.18
IC3H7+H=C3H8 1.000e+14 0.00 0.00
C3H8+O2=IC3H7+HO2 2.000e+13 0.00 49640.00
H+C3H8=H2+IC3H7 1.300e+06 2.40 4471.00
C3H8+O=IC3H7+OH 5.490e+05 2.50 3140.00
C3H8+OH=IC3H7+H2O 4.670e+07 1.61 -35.00
C3H8+HO2=IC3H7+H2O2 5.880e+04 2.50 14860.00
CH3+C3H8=CH4+IC3H7 6.400e+04 2.17 7520.00
C2H3+C3H8=C2H4+IC3H7 1.000e+11 0.00 10400.00
C2H5+C3H8=C2H6+IC3H7 1.000e+11 0.00 10400.00
C3H8+C3H5-A=IC3H7+C3H6 7.940e+11 0.00 16200.00
C3H8+CH3O=IC3H7+CH3OH 3.000e+11 0.00 7000.00
CH3O2+C3H8=CH3O2H+IC3H7 5.880e+04 2.50 14860.00
H+C3H6=IC3H7 2.640e+13 0.00 2160.00
IC3H7+H=C2H5+CH3 2.000e+13 0.00 0.00
IC3H7+O2=C3H6+HO2 4.500e-19 0.00 5020.00
IC3H7+OH=C3H6+H2O 2.410e+13 0.00 0.00
IC3H7+O=CH3CHO+CH3 4.818e+13 0.00 0.00
HOCO+IC3H7=CO2+C3H8 1.287e+13 0.02 -151.93
IC3H7+CH3OCH2=C3H6+CH3OCH3 1.734e+13 0.00 0.00
IC3H7+CH3=C3H6+CH4 1.314e+15 -0.68 0.00
C3H8+CH2=IC3H7+CH3 1.510e+00 3.46 7470.00
C3H8+C2H=IC3H7+C2H2 1.210e+12 0.00 0.00
IC3H7+C3H4-A=C3H8+C3H3 1.300e+13 0.00 20200.00
IC3H7+CH2O=C3H8+HCO 1.080e+11 0.00 6960.00
IC3H7+CH3OH=C3H8+CH2OH 4.035e-01 3.83 14491.21
C3H8+HCCO=IC3H7+CH2CO 1.020e+03 3.10 8820.00
C3H8+CH2CHO=IC3H7+CH3CHO 4.781e-02 4.07 10198.33
C3H8+PC4H9=IC3H7+C4H10 3.080e+03 2.66 10100.00
C3H8+SC4H9=IC3H7+C4H10 3.040e+01 3.19 10310.00
C3H8+CH2O2H=IC3H7+CH3O2H 6.040e+01 2.95 11980.00
C3H8+C2H5O=IC3H7+C2H5OH 1.450e+11 0.00 4570.00
C2H5+IC3H7=C2H4+C3H8 6.330e+14 -0.70 0.00
C3H5-A+IC3H7=C3H4-A+C3H8 4.580e+12 -0.35 -130.00
IC3H7+IC3H7=C3H6+C3H8 1.266e+15 -0.70 0.00
CH3O+IC3H7=CH2O+C3H8 4.096e+13 -0.17 1997.40
CH2OH+IC3H7=CH2O+C3H8 2.350e+12 0.00 0.00
CH2CHO+IC3H7=CH2CO+C3H8 5.655e+12 -0.03 877.67
C2H5O+IC3H7=CH3CHO+C3H8 1.514e+11 0.23 131.67
IC3H7+CH2OH=C3H6+CH3OH 1.734e+13 0.00 0.00
IC3H7+CH3O=C3H6+CH3OH 1.446e+14 0.00 0.00
IC3H7+C2H5O=C3H6+C2H5OH 1.446e+14 0.00 0.00
IC3H7+CH3OCH3=C3H8+CH3OCH2 8.070e-01 3.83 14491.21
H+IC3H7=H2+C3H6 2.166e+13 0.00 0.00
O+IC3H7=OH+C3H6 1.806e+14 0.00 0.00
HO2+IC3H7=H2O2+C3H6 1.446e+14 0.00 0.00
CH2+IC3H7=CH3+C3H6 1.806e+14 0.00 0.00
C2H+IC3H7=C2H2+C3H6 2.166e+13 0.00 0.00
C2H3+IC3H7=C2H4+C3H6 9.120e+14 -0.70 0.00
C2H5+IC3H7=C2H6+C3H6 1.380e+14 -0.35 0.00
C3H3+IC3H7=C3H4-A+C3H6 9.120e+14 -0.70 0.00
HCO+IC3H7=CH2O+C3H6 8.192e+13 -0.17 1997.40
HCCO+IC3H7=CH2CO+C3H6 9.120e+14 -0.70 0.00
CH2CHO+IC3H7=CH3CHO+C3H6 6.902e+13 -0.23 -43.33
C3H5-A+IC3H7=C3H6+C3H6 1.374e+14 -0.35 -130.00
PC4H9+IC3H7=C4H10+C3H6 1.380e+14 -0.35 0.00
SC4H9+IC3H7=C4H10+C3H6 1.266e+15 -0.70 0.00
CH3O2+IC3H7=CH3O2H+C3H6 1.446e+14 0.00 0.00
CH2O2H+IC3H7=CH3O2H+C3H6 1.734e+13 0.00 0.00
CH3OCH2+O2=CH3OCH2O2 2.000e+12 0.00 0.00
NC3H7+H=C3H8 1.000e+14 0.00 0.00
C3H8+O2=NC3H7+HO2 6.000e+13 0.00 52290.00
H+C3H8=H2+NC3H7 1.330e+06 2.54 6756.00
C3H8+O=NC3H7+OH 3.710e+06 2.40 5505.00
C3H8+OH=NC3H7+H2O 1.054e+10 0.97 1586.00
C3H8+HO2=NC3H7+H2O2 8.100e+04 2.50 16690.00
CH3+C3H8=CH4+NC3H7 9.040e-01 3.65 7154.00
C2H3+C3H8=C2H4+NC3H7 1.000e+11 0.00 10400.00
C2H5+C3H8=C2H6+NC3H7 1.000e+11 0.00 10400.00
C3H8+C3H5-A=NC3H7+C3H6 7.940e+11 0.00 20500.00
C3H8+CH3O=NC3H7+CH3OH 3.000e+11 0.00 7000.00
CH3O2+C3H8=CH3O2H+NC3H7 8.100e+04 2.50 16690.00
NC3H7=CH3+C2H4 9.970e+40 -8.60 41430.00
NC3H7=H+C3H6 8.780e+39 -8.10 46580.00
NC3H7+O2=C3H6+HO2 3.000e-19 0.00 3000.00
HOCO+NC3H7=CO2+C3H8 1.287e+13 0.02 -151.93
NC3H7+OH=C3H6+H2O 4.820e+13 0.00 0.00
NC3H7+CH3OCH2=C3H6+CH3OCH3 9.640e+11 0.00 0.00
NC3H7+CH3=C3H6+CH4 2.300e+13 -0.32 0.00
C3H8+CH2=NC3H7+CH3 5.443e+06 1.73 6190.00
C3H8+C2H=NC3H7+C2H2 3.612e+12 0.00 0.00
NC3H7+C3H4-A=C3H8+C3H3 3.128e+13 0.00 19700.00
NC3H7+CH2O=C3H8+HCO 5.500e+03 2.81 5860.00
NC3H7+CH3OH=C3H8+CH2OH 7.079e+01 3.14 13824.62
C3H8+HCCO=NC3H7+CH2CO 3.013e+02 3.25 5193.65
NC3H7+CH3CHO=C3H8+CH2CHO 7.079e+01 3.14 13824.62
C3H8+PC4H9=NC3H7+C4H10 3.954e+03 2.71 12920.00
NC3H7+C4H10=C3H8+SC4H9 6.160e+03 2.66 10100.00
NC3H7+CH3O2H=C3H8+CH2O2H 7.079e+01 3.14 13824.62
C3H8+C2H5O=NC3H7+C2H5OH 3.162e+11 0.00 7000.00
C2H5+NC3H7=C2H4+C3H8 6.900e+13 -0.35 0.00
C3H5-A+NC3H7=C3H4-A+C3H8 9.640e+11 0.00 -130.00
IC3H7+NC3H7=C3H6+C3H8 1.380e+14 -0.35 0.00
NC3H7+NC3H7=C3H6+C3H8 2.900e+12 0.00 0.00
CH3O+NC3H7=CH2O+C3H8 4.096e+13 -0.17 1997.40
CH2OH+NC3H7=CH2O+C3H8 2.410e+12 0.00 0.00
CH2CHO+NC3H7=CH2CO+C3H8 5.655e+12 -0.03 877.67
C2H5O+NC3H7=CH3CHO+C3H8 1.514e+11 0.23 131.67
NC3H7+CH2OH=C3H6+CH3OH 9.640e+11 0.00 0.00
NC3H7+CH3O=C3H6+CH3OH 4.820e+13 0.00 0.00
NC3H7+C2H5O=C3H6+C2H5OH 4.820e+13 0.00 0.00
NC3H7+CH3OCH3=C3H8+CH3OCH2 1.416e+02 3.14 13824.62
IC3H7+C3H8=NC3H7+C3H8 3.000e+10 0.00 12900.00
NC3H7=IC3H7 1.938e+10 0.89 35800.00
H+NC3H7=H2+C3H6 3.620e+12 0.00 0.00
O+NC3H7=OH+C3H6 3.620e+12 0.00 0.00
HO2+NC3H7=H2O2+C3H6 4.820e+13 0.00 0.00
CH2+NC3H7=CH3+C3H6 3.620e+12 0.00 0.00
C2H+NC3H7=C2H2+C3H6 1.206e+13 0.00 0.00
C2H3+NC3H7=C2H4+C3H6 2.420e+12 0.00 0.00
C2H5+NC3H7=C2H6+C3H6 2.900e+12 0.00 0.00
C3H3+NC3H7=C3H4-A+C3H6 2.420e+12 0.00 0.00
HCO+NC3H7=CH2O+C3H6 4.380e+12 0.04 2496.94
HCCO+NC3H7=CH2CO+C3H6 2.420e+12 0.00 0.00
CH2CHO+NC3H7=CH3CHO+C3H6 2.009e+12 0.00 -43.33
C3H5-A+NC3H7=C3H6+C3H6 2.900e+12 0.00 -130.00
PC4H9+NC3H7=C4H10+C3H6 2.900e+12 0.00 0.00
SC4H9+NC3H7=C4H10+C3H6 1.026e+14 -0.35 0.00
CH3O2+NC3H7=CH3O2H+C3H6 4.820e+13 0.00 0.00
CH2O2H+NC3H7=CH3O2H+C3H6 9.640e+11 0.00 0.00
CH3O+CH2O=CH3OCH2O 1.000e+11 0.00 11900.00
CH3OCH2+O=CH3OCH2O 1.000e+13 0.00 0.00
CH3OCH2O2+CH3OCH2O2=O2+CH3OCH2O+CH3OCH2O 2.210e+23 -4.50 0.00
CH3OCH2O+O=CH3OCH2O2 1.000e+13 0.00 0.00
CH3OCH3+HCO=CH3+CH3OCHO 2.034e+00 3.66 29958.67
CH3OCHO+H=CH3OH+HCO 2.492e+04 2.50 25703.81
CH3OCH2+HCO=CH3OCHO+CH2 2.254e+02 3.22 35386.18
CH3OCHO+H=CH3OCH2O 1.000e+11 0.00 11900.00
O2+CH3OCH2O=HO2+CH3OCHO 1.833e+13 0.00 14850.00
H+CH3OCH2O=H2+CH3OCHO 3.620e+12 0.00 0.00
O+CH3OCH2O=OH+CH3OCHO 3.620e+12 0.00 0.00
OH+CH3OCH2O=H2O+CH3OCHO 4.820e+13 0.00 0.00
HO2+CH3OCH2O=H2O2+CH3OCHO 4.820e+13 0.00 0.00
CH2+CH3OCH2O=CH3+CH3OCHO 3.620e+12 0.00 0.00
CH3+CH3OCH2O=CH4+CH3OCHO 1.514e+11 0.23 131.67
C2H+CH3OCH2O=C2H2+CH3OCHO 1.206e+13 0.00 0.00
C2H3+CH3OCH2O=C2H4+CH3OCHO 2.420e+12 0.00 0.00
C2H5+CH3OCH2O=C2H6+CH3OCHO 1.514e+11 0.23 131.67
C3H3+CH3OCH2O=C3H4-A+CH3OCHO 2.420e+12 0.00 0.00
HCO+CH3OCH2O=CH2O+CH3OCHO 4.380e+12 0.04 2496.94
CH3O+CH3OCH2O=CH3OH+CH3OCHO 4.820e+13 0.00 0.00
CH2OH+CH3OCH2O=CH3OH+CH3OCHO 1.514e+11 0.23 131.67
HCCO+CH3OCH2O=CH2CO+CH3OCHO 2.420e+12 0.00 0.00
CH2CHO+CH3OCH2O=CH3CHO+CH3OCHO 1.514e+11 0.23 131.67
C3H5-A+CH3OCH2O=C3H6+CH3OCHO 1.514e+11 0.23 131.67
PC4H9+CH3OCH2O=C4H10+CH3OCHO 1.514e+11 0.23 131.67
SC4H9+CH3OCH2O=C4H10+CH3OCHO 1.514e+11 0.23 131.67
CH3O2+CH3OCH2O=CH3O2H+CH3OCHO 4.820e+13 0.00 0.00
CH2O2H+CH3OCH2O=CH3O2H+CH3OCHO 1.514e+11 0.23 131.67
C2H5O+CH3OCH2O=C2H5OH+CH3OCHO 4.820e+13 0.00 0.00
CH3OCH2+CH3OCH2O=CH3OCH3+CH3OCHO 1.514e+11 0.23 131.67
IC3H7+CH3OCH2O=C3H8+CH3OCHO 1.514e+11 0.23 131.67
NC3H7+CH3OCH2O=C3H8+CH3OCHO 1.514e+11 0.23 131.67
CH3O2+HCO=CH3OCHO+O 2.254e+02 3.22 35386.18
CH3O2H+HCO=CH3OCHO+OH 1.017e+00 3.66 29958.67
CH3+CO2=CH3OCO 4.760e+07 1.54 34700.00
CH3O+CO=CH3OCO 1.550e+06 2.02 5730.00
H+CH3OCO=CH3OCHO 1.000e+14 0.00 0.00
CH3OCHO+H=CH3OCO+H2 2.577e+05 2.52 5736.80
CH3OCHO+OH=CH3OCO+H2O 1.220e+16 -0.98 4946.10
CH3OCHO+CH3=CH3OCO+CH4 9.212e-02 3.69 6052.60
CH3OCHO+CH3O2=CH3OCO+CH3O2H 1.566e+05 2.18 16544.40
CH3OCHO+HO2=CH3OCO+H2O2 1.566e+05 2.18 16544.40
CH3OCHO+CH3O=CH3OCO+CH3OH 5.270e+09 0.83 2912.40
CH3OCHO+O=CH3OCO+OH 2.451e+05 2.47 4047.80
CH3OCHO+O2=CH3OCO+HO2 3.847e+12 0.11 50759.60
CH3OCHO+HCO=CH3OCO+CH2O 5.400e+06 1.90 17010.00
CH3OCHO+C2H5=CH3OCO+C2H6 1.000e+11 0.00 10400.00
CH3OCHO+C2H3=CH3OCO+C2H4 1.000e+11 0.00 10400.00
CH3OCO+HCO=CH3OCHO+CO 1.000e+14 0.00 0.00
CH3OCHO+CH2=CH3OCO+CH3 3.020e+09 0.00 0.00
CH3OCHO+C2H=CH3OCO+C2H2 2.893e+06 1.86 12601.98
CH3OCO+C3H4-A=CH3OCHO+C3H3 1.157e+07 1.86 12819.62
CH3OCO+CH3OH=CH3OCHO+CH2OH 9.060e+03 2.75 17530.00
CH3OCHO+HCCO=CH3OCO+CH2CO 8.130e+10 0.00 3680.00
CH3OCO+CH3CHO=CH3OCHO+CH2CHO 9.060e+03 2.75 17530.00
CH3OCO+C3H6=CH3OCHO+C3H5-A 9.060e+03 2.75 17530.00
CH3OCHO+PC4H9=CH3OCO+C4H10 3.800e+11 0.00 7210.00
CH3OCO+C4H10=CH3OCHO+SC4H9 1.060e+07 2.00 16240.00
CH3OCO+CH3O2H=CH3OCHO+CH2O2H 9.060e+03 2.75 17530.00
CH3OCHO+C2H5O=CH3OCO+C2H5OH 3.010e+12 0.00 11920.00
CH3OCO+CH3OCH3=CH3OCHO+CH3OCH2 1.812e+04 2.75 17530.00
CH3OCO+C3H8=CH3OCHO+IC3H7 5.300e+06 2.00 16240.00
CH3OCHO+NC3H7=CH3OCO+C3H8 3.800e+11 0.00 7210.00
HOCO+CH3OCO=CO2+CH3OCHO 1.287e+13 0.02 -151.93
C2H5+CH3OCO=C2H4+CH3OCHO 4.096e+13 -0.17 1997.40
C3H5-A+CH3OCO=C3H4-A+CH3OCHO 3.489e+12 -0.07 2680.75
IC3H7+CH3OCO=C3H6+CH3OCHO 8.192e+13 -0.17 1997.40
NC3H7+CH3OCO=C3H6+CH3OCHO 4.380e+12 0.04 2496.94
CH3O+CH3OCO=CH2O+CH3OCHO 4.096e+13 -0.17 1997.40
CH2OH+CH3OCO=CH2O+CH3OCHO 1.810e+14 0.00 0.00
CH2CHO+CH3OCO=CH2CO+CH3OCHO 5.655e+12 -0.03 877.67
C2H5O+CH3OCO=CH3CHO+CH3OCHO 4.380e+12 0.04 2496.94
CH3OCH2O+CH3OCO=CH3OCHO+CH3OCHO 4.380e+12 0.04 2496.94
CH3OCO+H=CH3OH+CO 2.254e+02 3.22 35386.18
CH3OCO+O=CH3O2+CO 2.254e+02 3.22 35386.18
CH3OCO+OH=CH3O2H+CO 4.507e+02 3.22 35386.18
CH3OCO+CH2=CH3OCH2+CO 2.254e+02 3.22 35386.18
CH3OCO+CH3=CH3OCH3+CO 2.254e+02 3.22 35386.18
CH2O+HCO=CH2OCHO 3.890e+11 0.00 22000.00
H+CH2OCHO=CH3OCHO 1.000e+14 0.00 0.00
CH3OCHO+H=CH2OCHO+H2 6.654e+05 2.54 6494.20
CH3OCHO+OH=CH2OCHO+H2O 8.858e+12 0.05 3340.50
CH3OCHO+CH3=CH2OCHO+CH4 2.910e-01 3.70 6823.80
CH3OCHO+HO2=CH2OCHO+H2O2 5.659e+04 2.44 16594.30
CH3OCHO+CH3O2=CH2OCHO+CH3O2H 5.659e+04 2.44 16594.30
CH3OCHO+CH3O=CH2OCHO+CH3OH 4.590e+09 0.45 4823.60
CH3OCHO+O=CH2OCHO+OH 8.843e+05 2.44 4593.20
CH3OCHO+O2=CH2OCHO+HO2 1.533e+13 0.08 51749.80
CH3OCHO+HCO=CH2OCHO+CH2O 1.025e+05 2.50 18430.00
CH3OCHO+C2H5=CH2OCHO+C2H6 1.000e+11 0.00 10400.00
CH3OCHO+C2H3=CH2OCHO+C2H4 1.000e+11 0.00 10400.00
CH2OCHO+HCO=CH3OCHO+CO 1.000e+14 0.00 0.00
CH3OCHO+CH2=CH2OCHO+CH3 2.721e+06 1.73 6190.00
CH3OCHO+C2H=CH2OCHO+C2H2 1.806e+12 0.00 0.00
CH2OCHO+C3H4-A=CH3OCHO+C3H3 1.157e+10 1.06 23350.00
CH2OCHO+CH3OH=CH3OCHO+CH2OH 7.079e+01 3.14 13824.62
CH3OCHO+HCCO=CH2OCHO+CH2CO 1.506e+02 3.25 5193.65
CH2OCHO+CH3CHO=CH3OCHO+CH2CHO 7.079e+01 3.14 13824.62
CH2OCHO+C3H6=CH3OCHO+C3H5-A 7.079e+01 3.14 13824.62
CH2OCHO+C4H10=CH3OCHO+PC4H9 1.416e+02 3.14 13824.62
CH2OCHO+C4H10=CH3OCHO+SC4H9 1.208e+02 2.95 11980.00
CH2OCHO+CH3O2H=CH3OCHO+CH2O2H 7.079e+01 3.14 13824.62
CH3OCHO+C2H5O=CH2OCHO+C2H5OH 2.336e+04 2.37 10827.50
CH2OCHO+CH3OCH3=CH3OCHO+CH3OCH2 1.416e+02 3.14 13824.62
CH2OCHO+C3H8=CH3OCHO+IC3H7 6.040e+01 2.95 11980.00
CH2OCHO+C3H8=CH3OCHO+NC3H7 1.416e+02 3.14 13824.62
HOCO+CH2OCHO=CO2+CH3OCHO 1.287e+13 0.02 -151.93
C2H5+CH2OCHO=C2H4+CH3OCHO 8.670e+12 0.00 0.00
C3H5-A+CH2OCHO=C3H4-A+CH3OCHO 2.851e+11 0.00 -195.00
IC3H7+CH2OCHO=C3H6+CH3OCHO 1.734e+13 0.00 0.00
NC3H7+CH2OCHO=C3H6+CH3OCHO 9.640e+11 0.00 0.00
CH3O+CH2OCHO=CH2O+CH3OCHO 4.096e+13 -0.17 1997.40
CH2OH+CH2OCHO=CH2O+CH3OCHO 4.820e+12 0.00 0.00
CH2CHO+CH2OCHO=CH2CO+CH3OCHO 5.655e+12 -0.03 877.67
C2H5O+CH2OCHO=CH3CHO+CH3OCHO 1.514e+11 0.23 131.67
CH3OCH2O+CH2OCHO=CH3OCHO+CH3OCHO 1.514e+11 0.23 131.67
CH3OCO+CH3OCHO=CH3OCHO+CH2OCHO 1.000e+11 0.00 10400.00
CH2OCHO=CH3OCO 2.620e+11 -0.03 38178.00
CH2OH+CO=CH2OCHO 5.920e+04 2.37 72970.00
CO2+CH3O2=OOCH2OCHO 3.072e+07 1.87 75750.00
CH3OCH2O2+HCO=CH3+OOCH2OCHO 1.017e+00 3.66 29958.67
CH2OCHO+O2=OOCH2OCHO 4.500e+12 0.00 0.00
CH2OCH2O2H=OH+CH2O+CH2O 1.500e+13 0.00 20760.00
CH3OCH2O2=CH2OCH2O2H 6.000e+10 0.00 21580.00
CH2O+CH2O2H=CH2OCH2O2H 1.089e+08 1.34 3234.43
CH3CHO+H=CH3CO+H2 1.110e+13 0.00 3110.00
CH3CHO+O=CH3CO+OH 5.940e+12 0.00 1868.00
CH3CHO+OH=CH3CO+H2O 2.000e+06 1.80 1300.00
CH3CHO+O2=CH3CO+HO2 3.010e+13 0.00 39150.00
CH3CHO+CH3=CH3CO+CH4 1.760e+03 2.79 4950.00
CH3CHO+HO2=CH3CO+H2O2 3.010e+12 0.00 11920.00
CH3O2+CH3CHO=CH3O2H+CH3CO 3.010e+12 0.00 11920.00
CH3CO+H=CH2CO+H2 2.000e+13 0.00 0.00
CH3CO+O=CH2CO+OH 2.000e+13 0.00 0.00
CH3CO+CH3=CH2CO+CH4 5.000e+13 0.00 0.00
C3H5-A+O2=CH3CO+CH2O 1.190e+15 -1.01 20128.00
PLOG / 1.0 1.19e+15 -1.01 20128.0 /
PLOG / 10.0 7.14e+15 -1.21 21046.0 /
! For the above reaction, deltaHrxn(T=298K) = -68.8 kcal/mol
HOCO+CH3CO=CO2+CH3CHO 1.287e+13 0.02 -151.93
CH3CO+OH=CH2CO+H2O 4.096e+13 -0.17 1997.40
CH3CO+CH3OCH2=CH2CO+CH3OCH3 4.096e+13 -0.17 1997.40
CH3CO+NC3H7=CH2CO+C3H8 4.096e+13 -0.17 1997.40
CH3CO+IC3H7=CH2CO+C3H8 4.096e+13 -0.17 1997.40
CH3CO+CH2OH=CH2CO+CH3OH 4.096e+13 -0.17 1997.40
CH3CO+CH3O=CH2CO+CH3OH 4.096e+13 -0.17 1997.40
CH3CO+C2H5O=CH2CO+C2H5OH 4.096e+13 -0.17 1997.40
CH3OCH2+CH3CHO=CH3OCH3+CH3CO 1.260e+12 0.00 8499.00
CH3CHO+IC3H7=CH3CO+C3H8 8.390e+04 1.96 5696.67
CH3CHO+NC3H7=CH3CO+C3H8 3.800e+11 0.00 7210.00
CH3CO+CH2OCHO=CH2CO+CH3OCHO 4.096e+13 -0.17 1997.40
CH3CO+CH3OCO=CH2CO+CH3OCHO 4.096e+13 -0.17 1997.40
CH3OCH2O+CH3CO=CH3OCHO+CH3CHO 4.380e+12 0.04 2496.94
CH3CHO+CH3OCO=CH3CO+CH3OCHO 9.050e+10 0.00 12920.00
CH3CHO+CH2OCHO=CH3CO+CH3OCHO 3.800e+11 0.00 7210.00
CH2OH+CH3CHO=CH3OH+CH3CO 3.800e+11 0.00 7210.00
CH3O+CH3CHO=CH3OH+CH3CO 3.010e+12 0.00 11920.00
C2H5O+CH3CHO=C2H5OH+CH3CO 3.010e+12 0.00 11920.00
C2H+CH3CHO=C2H2+CH3CO 2.893e+06 1.86 12506.23
C2H3+CH3CHO=C2H4+CH3CO 8.130e+10 0.00 3680.00
C2H5+CH3CHO=C2H6+CH3CO 3.800e+11 0.00 7210.00
C3H3+CH3CHO=C3H4-A+CH3CO 8.130e+10 0.00 3680.00
C3H6+CH3CO=C3H5-A+CH3CHO 9.060e+03 2.75 17530.00
CH2O+CH3CO=HCO+CH3CHO 1.810e+11 0.00 12920.00
HCCO+CH3CHO=CH2CO+CH3CO 8.130e+10 0.00 3680.00
PC4H9+CH3CHO=C4H10+CH3CO 3.800e+11 0.00 7210.00
SC4H9+CH3CHO=C4H10+CH3CO 8.390e+04 1.96 5696.67
CH2CHO+CH3CHO=CH3CHO+CH3CO 3.800e+11 0.00 7210.00
CH2O2H+CH3CHO=CH3O2H+CH3CO 3.800e+11 0.00 7210.00
CH2CO+H=CH3CO 1.883e+13 0.00 2900.00
CH3CO+H=CH3CHO 1.000e+13 0.00 0.00
O2+CH3CO=HO2+CH2CO 8.192e+13 -0.17 1997.40
HO2+CH3CO=H2O2+CH2CO 4.096e+13 -0.17 1997.40
CH2+CH3CO=CH3+CH2CO 9.030e+13 0.00 0.00
C2H+CH3CO=C2H2+CH2CO 4.096e+13 -0.17 1997.40
C2H3+CH3CO=C2H4+CH2CO 4.096e+13 -0.17 1997.40
CH3CO+C2H5=CH3CHO+C2H4 4.096e+13 -0.17 1997.40
C2H5+CH3CO=C2H6+CH2CO 4.096e+13 -0.17 1997.40
C3H3+CH3CO=C3H4-A+CH2CO 4.096e+13 -0.17 1997.40
HCO+CH3CO=CH2O+CH2CO 4.096e+13 -0.17 1997.40
CH3CO+CH3O=CH3CHO+CH2O 4.096e+13 -0.17 1997.40
CH3CO+CH2OH=CH3CHO+CH2O 1.810e+14 0.00 0.00
HCCO+CH3CO=CH2CO+CH2CO 4.096e+13 -0.17 1997.40
CH3CO+CH2CHO=CH3CHO+CH2CO 3.489e+12 -0.07 2680.75
CH3CO+C3H5-A=CH3CHO+C3H4-A 3.489e+12 -0.07 2680.75
C3H5-A+CH3CO=C3H6+CH2CO 4.096e+13 -0.17 1997.40
PC4H9+CH3CO=C4H10+CH2CO 4.096e+13 -0.17 1997.40
SC4H9+CH3CO=C4H10+CH2CO 4.096e+13 -0.17 1997.40
CH3O2+CH3CO=CH3O2H+CH2CO 4.096e+13 -0.17 1997.40
CH2O2H+CH3CO=CH3O2H+CH2CO 4.096e+13 -0.17 1997.40
CH3CO+C2H5O=CH3CHO+CH3CHO 4.380e+12 0.04 2496.94
CH3CO+IC3H7=CH3CHO+C3H6 8.192e+13 -0.17 1997.40
CH3CO+NC3H7=CH3CHO+C3H6 4.380e+12 0.04 2496.94
CH3CO+CH3CO=CH3CHO+CH2CO 4.096e+13 -0.17 1997.40
CH2CHO=CH3CO 2.043e+07 1.41 28733.13
C3H6+O=CH3CHCO+H+H 2.500e+07 1.76 76.00
CH3CHCO+OH=C2H5+CO2 1.730e+12 0.00 -1010.00
CH3CHCO+H=C2H5+CO 4.400e+12 0.00 1459.00
CH3CHCO+O=CH3CHO+CO 3.200e+12 0.00 -437.00
CH3+HCCO=CH3CHCO 7.230e+13 0.00 0.00
C2H3O1-2=CH2CHO 1.000e+14 0.00 14000.00
C2H3O1-2=CH3CO 8.500e+14 0.00 14000.00
H+CH=C+H2 1.650e+14 0.00 0.00
OH+C=H+CO 5.000e+13 0.00 0.00
C+O2=O+CO 5.800e+13 0.00 576.00
C+CH2=H+C2H 5.000e+13 0.00 0.00
C+CH3=H+C2H2 5.000e+13 0.00 0.00
C3H4-P+H=C3H3+H2 1.300e+06 2.00 5500.00
C3H4-P+C3H3=C3H4-A+C3H3 6.140e+06 1.74 10450.00
C3H4-P+O=HCCO+CH3 7.300e+12 0.00 2250.00
C3H4-P+O=C2H4+CO 1.000e+13 0.00 2250.00
C3H4-P+OH=C3H3+H2O 1.000e+06 2.00 100.00
C3H4-P+C2H=C2H2+C3H3 1.000e+13 0.00 0.00
C3H4-P+CH3=C3H3+CH4 1.800e+12 0.00 7700.00
C3H4-P+C2H3=C3H3+C2H4 1.000e+12 0.00 7700.00
C3H4-P+C3H5-A=C3H3+C3H6 1.000e+12 0.00 7700.00
C3H3+H=C3H4-P 1.500e+13 0.00 0.00
C3H3+HO2=C3H4-P+O2 2.500e+12 0.00 0.00
C3H3+HCO=C3H4-P+CO 2.500e+13 0.00 0.00
C2H2+CH3=C3H4-P+H 2.560e+09 1.10 13644.00
PLOG / 1.0 2.56e+09 1.1 13644.0 /
PLOG / 2.0 2.07e+10 0.85 14415.000000000002 /
PLOG / 5.0 2.51e+11 0.56 15453.000000000002 /
! For the above reaction, deltaHrxn(T=298K) = +6.7 kcal/mol
CH3OCH2+C3H4-P=CH3OCH3+C3H3 7.079e+01 3.14 13824.62
NC3H7+C3H4-P=C3H8+C3H3 7.079e+01 3.14 13824.62
IC3H7+C3H4-P=C3H8+C3H3 4.035e-01 3.83 14491.21
CH2OH+C3H4-P=CH3OH+C3H3 7.079e+01 3.14 13824.62
CH3O+C3H4-P=CH3OH+C3H3 2.336e+04 2.37 10827.50
C2H5O+C3H4-P=C2H5OH+C3H3 2.336e+04 2.37 10827.50
C3H3+IC3H7=C3H4-P+C3H6 6.902e+13 -0.23 -43.33
C3H3+NC3H7=C3H4-P+C3H6 2.009e+12 0.00 -43.33
C3H3+CH3OCH2O=C3H4-P+CH3OCHO 1.514e+11 0.23 131.67
CH2OCHO+C3H4-P=CH3OCHO+C3H3 7.079e+01 3.14 13824.62
CH3OCO+C3H4-P=CH3OCHO+C3H3 9.060e+03 2.75 17530.00
C3H3+CH3CO=C3H4-P+CH2CO 4.096e+13 -0.17 1997.40
C3H4-P=C3H4-A 5.150e+60 -13.93 91117.00
PLOG / 0.4 5.81e+62 -14.63 91211.0 /
PLOG / 1.0 5.15e+60 -13.93 91117.0 /
PLOG / 2.0 7.64e+59 -13.59 91817.0 /
PLOG / 5.0 3.12e+58 -13.07 92680.0 /
! For the above reaction, deltaHrxn(T=298K) = +0.8 kcal/mol
C3H4-P+H=C3H4-A+H 6.270e+17 -0.91 10079.00
PLOG / 1.0 6.27e+17 -0.91 10079.0 /
PLOG / 2.0 1.50e+18 -1.0 10756.0 /
PLOG / 5.0 1.93e+18 -1.01 11523.0 /
! For the above reaction, deltaHrxn(T=298K) = +0.8 kcal/mol
C3H4-P+H=C3H5-A 4.910e+60 -14.37 31644.00
PLOG / 1.0 4.91e+60 -14.37 31644.000000000004 /
PLOG / 2.0 3.04e+60 -14.19 32642.000000000004 /
PLOG / 5.0 9.02e+59 -13.89 33953.0 /
! For the above reaction, deltaHrxn(T=298K) = -55.8 kcal/mol
C3H4-P+O=C3H3+OH 2.850e+03 3.05 3123.00
C3H3+H2O2=C3H4-P+HO2 2.581e-03 4.23 4433.12
C3H4-P+CH2=C3H3+CH3 2.721e+06 1.73 6190.00
C3H4-P+C2H5=C3H3+C2H6 7.079e+01 3.14 13824.62
C3H3+CH2O=C3H4-P+HCO 9.181e+00 3.38 9040.00
C3H4-P+HCCO=C3H3+CH2CO 1.506e+02 3.25 5193.65
C3H4-P+CH2CHO=C3H3+CH3CHO 7.079e+01 3.14 13824.62
C3H4-P+PC4H9=C3H3+C4H10 7.079e+01 3.14 13824.62
C3H4-P+SC4H9=C3H3+C4H10 4.035e-01 3.83 14491.21
C3H3+CH3O2H=C3H4-P+CH3O2 2.581e-03 4.23 4433.12
C3H4-P+CH2O2H=C3H3+CH3O2H 7.079e+01 3.14 13824.62
C3H3+CH3CHO=C3H4-P+CH3CO 3.800e+11 0.00 7210.00
CH3+C2H=C3H4-P 1.000e+13 0.00 0.00
HOCO+C3H3=CO2+C3H4-P 1.287e+13 0.02 -151.93
C2H5+C3H3=C2H4+C3H4-P 1.150e+13 -0.23 -43.33
C3H5-A+C3H3=C3H4-A+C3H4-P 2.851e+11 0.00 -195.00
CH3O+C3H3=CH2O+C3H4-P 1.365e+13 -0.17 1997.40
CH2OH+C3H3=CH2O+C3H4-P 5.946e+12 0.00 0.00
CH2CHO+C3H3=CH2CO+C3H4-P 5.655e+12 -0.03 877.67
C2H5O+C3H3=CH3CHO+C3H4-P 7.568e+10 0.23 131.67
C3H3+H=C3H2+H2 5.000e+13 0.00 1000.00
C3H3+OH=C3H2+H2O 2.000e+13 0.00 0.00
C3H2+H=C3H3 1.000e+13 0.00 0.00
C3H2+O=C2H2+CO 6.800e+13 0.00 0.00
C3H2+OH=HCO+C2H2 6.800e+13 0.00 0.00
C3H2+O2=HCCO+H+CO 2.000e+12 0.00 1000.00
C3H2+CH=C4H2+H 5.000e+13 0.00 0.00
C3H2+O2=HCO+HCCO 5.000e+13 0.00 0.00
C4H2+O=C3H2+CO 2.700e+13 0.00 1720.00
C3H2+HO2=C3H3+O2 5.785e+06 1.86 12451.70
HOCO+C3H2=CO2+C3H3 2.575e+13 0.02 -151.93
C3H2+CH3OCH3=C3H3+CH3OCH2 6.025e+02 3.25 5193.65
C3H2+C3H8=C3H3+IC3H7 2.040e+03 3.10 8820.00
C3H3+NC3H7=C3H2+C3H8 1.564e+13 0.00 19700.00
CH3OCH2O+C3H2=CH3OCHO+C3H3 4.840e+12 0.00 0.00
C3H3+CH3OCO=C3H2+CH3OCHO 5.785e+06 1.86 12885.09
C3H3+CH2OCHO=C3H2+CH3OCHO 5.785e+09 1.06 23350.00
C3H2+CH3CHO=C3H3+CH3CO 1.626e+11 0.00 3680.00
CH3+C3H3=CH4+C3H2 3.240e+03 2.58 14040.00
CH3OH+C3H2=CH2OH+C3H3 3.013e+02 3.25 5193.65
CH3O+C3H3=CH3OH+C3H2 5.780e+06 1.85 5821.37
C2H5O+C3H3=C2H5OH+C3H2 5.780e+06 1.85 5387.72
H2O2+C3H2=HO2+C3H3 4.000e+00 3.52 -7480.00
C2H+C3H3=C2H2+C3H2 1.210e+12 0.00 0.00
C2H3+C3H3=C2H4+C3H2 1.470e+13 0.00 13100.00
C2H5+C3H3=C2H6+C3H2 7.820e+12 0.00 19700.00
C3H4-A+C3H2=C3H3+C3H3 1.176e+14 0.00 13100.00
C3H6+C3H2=C3H5-A+C3H3 4.638e+13 0.00 7500.00
CH2O+C3H2=HCO+C3H3 1.084e+04 2.81 5860.00
HCCO+C3H3=CH2CO+C3H2 1.470e+13 0.00 13100.00
PC4H9+C3H3=C4H10+C3H2 7.820e+12 0.00 19700.00
C4H10+C3H2=SC4H9+C3H3 4.080e+03 3.10 8820.00
CH2CHO+C3H3=CH3CHO+C3H2 2.893e+09 1.06 23350.00
CH2O2H+C3H3=CH3O2H+C3H2 2.893e+09 1.06 23350.00
CH3O2H+C3H2=CH3O2+C3H3 2.000e+00 3.52 -7480.00
C3H4-P+C3H2=C3H3+C3H3 3.013e+02 3.25 5193.65
C3H2+C2H5=C3H3+C2H4 9.120e+14 -0.70 0.00
C3H2+CH3O=C3H3+CH2O 8.192e+13 -0.17 1997.40
C3H2+CH2OH=C3H3+CH2O 6.020e+13 0.00 0.00
C3H2+CH2CHO=C3H3+CH2CO 6.978e+12 -0.07 2680.75
C3H2+C3H5-A=C3H3+C3H4-A 4.820e+12 0.00 0.00
C3H2+C2H5O=C3H3+CH3CHO 4.840e+12 0.00 0.00
C3H2+IC3H7=C3H3+C3H6 1.824e+15 -0.70 0.00
C3H2+NC3H7=C3H3+C3H6 4.840e+12 0.00 0.00
C3H2+CH3CO=C3H3+CH2CO 8.192e+13 -0.17 1997.40
C3H6=C3H5-T+H 5.620e+71 -16.58 139300.00
C3H6+O=C3H5-T+OH 6.030e+10 0.70 7632.00
C3H6+OH=C3H5-T+H2O 1.110e+06 2.00 1451.00
C3H6+HO2=C3H5-T+H2O2 9.000e+03 2.50 23590.00
C3H6+H=C3H5-T+H2 4.000e+05 2.50 9790.00
C3H6+O2=C3H5-T+HO2 1.400e+12 0.00 60700.00
C3H6+CH3=C3H5-T+CH4 8.400e-01 3.50 11660.00
C3H5-T+O=CH3+CH2CO 6.000e+13 0.00 0.00
C3H5-T+OH=CH3+CH2CO+H 5.000e+12 0.00 0.00
C3H5-T+HO2=CH3+CH2CO+OH 2.000e+13 0.00 0.00
C3H5-T+HCO=C3H6+CO 9.000e+13 0.00 0.00
C3H5-A=C3H5-T 7.060e+56 -14.08 75868.00
PLOG / 1.0 7.06e+56 -14.08 75868.0 /
PLOG / 2.0 4.80e+55 -13.59 75949.0 /
PLOG / 5.0 4.86e+53 -12.81 75883.0 /
! For the above reaction, deltaHrxn(T=298K) = +19.9 kcal/mol
C2H2+CH3=C3H5-T 4.990e+22 -4.39 18850.00
PLOG / 1.0 4.99e+22 -4.39 18850.0 /
PLOG / 2.0 6.00e+23 -4.6 19571.0 /
PLOG / 5.0 7.31e+25 -5.06 21150.000000000004 /
! For the above reaction, deltaHrxn(T=298K) = -29.1 kcal/mol
C3H4-A+H=C3H5-T 9.460e+42 -9.43 11190.00
PLOG / 1.0 9.46e+42 -9.43 11190.0 /
PLOG / 2.0 8.47e+43 -9.59 12462.0 /
PLOG / 5.0 6.98e+44 -9.7 14032.0 /
! For the above reaction, deltaHrxn(T=298K) = -36.7 kcal/mol
HOCO+C3H5-T=CO2+C3H6 1.287e+13 0.02 -151.93
C3H5-T+OH=C3H4-A+H2O 4.096e+13 -0.17 1997.40
C3H5-T+CH3OCH2=C3H4-A+CH3OCH3 4.096e+13 -0.17 1997.40
C3H5-T+CH3=C3H4-A+CH4 4.096e+13 -0.17 1997.40
C3H5-T+NC3H7=C3H4-A+C3H8 4.096e+13 -0.17 1997.40
C3H5-T+IC3H7=C3H4-A+C3H8 4.096e+13 -0.17 1997.40
C3H5-T+CH2OH=C3H4-A+CH3OH 4.096e+13 -0.17 1997.40
C3H5-T+CH3O=C3H4-A+CH3OH 4.096e+13 -0.17 1997.40
C3H5-T+C2H5O=C3H4-A+C2H5OH 4.096e+13 -0.17 1997.40
C3H5-T+CH3OCH3=C3H6+CH3OCH2 2.381e+01 3.46 5350.00
C3H5-T+C3H8=C3H6+IC3H7 3.228e-02 4.22 2491.90
C3H5-T+C3H8=C3H6+NC3H7 1.866e-04 4.87 3500.00
C3H5-T+CH2OCHO=C3H4-A+CH3OCHO 4.096e+13 -0.17 1997.40
C3H5-T+CH3OCO=C3H4-A+CH3OCHO 4.096e+13 -0.17 1997.40
CH3OCH2O+C3H5-T=CH3OCHO+C3H6 2.420e+12 0.00 0.00
C3H5-T+CH3OCHO=C3H6+CH3OCO 2.710e+03 2.81 5860.00
C3H5-T+CH3OCHO=C3H6+CH2OCHO 1.191e+01 3.46 5350.00
C3H5-T+O2=CH3CO+CH2O 1.000e+11 0.00 0.00
C3H5-T+CH3CHO=C3H6+CH3CO 2.710e+03 2.81 5860.00
C3H5-T+H=C3H4-P+H2 3.340e+12 0.00 0.00
C3H5-T+CH3=C3H4-P+CH4 1.000e+11 0.00 0.00
C3H4-P+H=C3H5-T 1.660e+47 -10.58 13690.00
PLOG / 1.0 1.66e+47 -10.58 13690.0 /
PLOG / 2.0 5.04e+47 -10.61 14707.0 /
PLOG / 5.0 9.62e+47 -10.55 15910.0 /
! For the above reaction, deltaHrxn(T=298K) = -35.9 kcal/mol
C3H5-T+C3H3=C3H4-A+C3H4-P 4.096e+13 -0.17 1997.40
C3H5-T+C3H3=C3H6+C3H2 1.208e+14 0.00 14000.00
CH3OH+C3H5-T=CH2OH+C3H6 1.191e+01 3.46 5350.00
CH3OH+C3H5-T=CH3O+C3H6 4.375e-01 3.59 -4030.00
C2H5OH+C3H5-T=C2H5O+C3H6 4.375e-01 3.59 -4030.00
C2H+C3H6=C2H2+C3H5-T 1.210e+12 0.00 0.00
C2H3+C3H6=C2H4+C3H5-T 8.420e-01 3.50 9670.00
C2H6+C3H5-T=C2H5+C3H6 1.866e-04 4.87 3500.00
C3H4-A+C3H5-T=C3H3+C3H6 2.416e+14 0.00 14000.00
C3H6+C3H5-T=C3H5-A+C3H6 1.656e+13 0.00 7500.00
CH2O+C3H5-T=HCO+C3H6 5.420e+03 2.81 5860.00
CH2CO+C3H5-T=HCCO+C3H6 1.208e+14 0.00 14000.00
C4H10+C3H5-T=PC4H9+C3H6 1.866e-04 4.87 3500.00
C4H10+C3H5-T=SC4H9+C3H6 6.456e-02 4.22 2491.90
CH3CHO+C3H5-T=CH2CHO+C3H6 1.191e+01 3.46 5350.00
CH3O2H+C3H5-T=CH2O2H+C3H6 1.191e+01 3.46 5350.00
CH3O2H+C3H5-T=CH3O2+C3H6 4.375e-01 3.59 -4030.00
C3H4-P+C3H5-T=C3H3+C3H6 1.191e+01 3.46 5350.00
O2+C3H5-T=HO2+C3H4-A 8.192e+13 -0.17 1997.40
H+C3H5-T=H2+C3H4-A 4.096e+13 -0.17 1997.40
O+C3H5-T=OH+C3H4-A 9.030e+13 0.00 0.00
HO2+C3H5-T=H2O2+C3H4-A 4.096e+13 -0.17 1997.40
CH2+C3H5-T=CH3+C3H4-A 9.030e+13 0.00 0.00
C2H+C3H5-T=C2H2+C3H4-A 4.096e+13 -0.17 1997.40
C2H3+C3H5-T=C2H4+C3H4-A 4.096e+13 -0.17 1997.40
C3H5-T+C2H5=C3H6+C2H4 4.560e+14 -0.70 0.00
C2H5+C3H5-T=C2H6+C3H4-A 4.096e+13 -0.17 1997.40
C3H3+C3H5-T=C3H4-A+C3H4-A 4.096e+13 -0.17 1997.40
HCO+C3H5-T=CH2O+C3H4-A 4.096e+13 -0.17 1997.40
C3H5-T+CH3O=C3H6+CH2O 4.096e+13 -0.17 1997.40
C3H5-T+CH2OH=C3H6+CH2O 3.010e+13 0.00 0.00
HCCO+C3H5-T=CH2CO+C3H4-A 4.096e+13 -0.17 1997.40
C3H5-T+CH2CHO=C3H6+CH2CO 3.489e+12 -0.07 2680.75
CH2CHO+C3H5-T=CH3CHO+C3H4-A 4.096e+13 -0.17 1997.40
C3H5-T+C3H5-A=C3H6+C3H4-A 2.410e+12 0.00 0.00
PC4H9+C3H5-T=C4H10+C3H4-A 4.096e+13 -0.17 1997.40
SC4H9+C3H5-T=C4H10+C3H4-A 4.096e+13 -0.17 1997.40
CH3O2+C3H5-T=CH3O2H+C3H4-A 4.096e+13 -0.17 1997.40
CH2O2H+C3H5-T=CH3O2H+C3H4-A 4.096e+13 -0.17 1997.40
C3H5-T+C2H5O=C3H6+CH3CHO 2.420e+12 0.00 0.00
C3H5-T+IC3H7=C3H6+C3H6 9.120e+14 -0.70 0.00
C3H5-T+NC3H7=C3H6+C3H6 2.420e+12 0.00 0.00
C3H5-T+CH3CO=C3H6+CH2CO 4.096e+13 -0.17 1997.40
CH3CO+C3H5-T=CH3CHO+C3H4-A 4.096e+13 -0.17 1997.40
C3H2+C3H5-T=C3H3+C3H4-A 8.192e+13 -0.17 1997.40
C3H5-T+C3H5-T=C3H6+C3H4-A 4.096e+13 -0.17 1997.40
C3H6=C3H5-S+H 7.710e+69 -16.09 140000.00
C3H6+O=C3H5-S+OH 1.200e+11 0.70 8959.00
C3H6+OH=C3H5-S+H2O 2.110e+06 2.00 2778.00
C3H6+HO2=C3H5-S+H2O2 1.800e+04 2.50 27620.00
C3H6+H=C3H5-S+H2 8.040e+05 2.50 12283.00
C3H6+O2=C3H5-S+HO2 2.000e+12 0.00 62900.00
C3H6+CH3=C3H5-S+CH4 1.348e+00 3.50 12850.00
C3H5-S+O=C2H4+HCO 6.000e+13 0.00 0.00
C3H5-S+OH=C2H4+HCO+H 5.000e+12 0.00 0.00
C3H5-S+O2=CH3CHO+HCO 1.000e+11 0.00 0.00
C3H5-S+HO2=C2H4+HCO+OH 2.000e+13 0.00 0.00
C3H5-S+HCO=C3H6+CO 9.000e+13 0.00 0.00
C3H5-A=C3H5-S 5.000e+51 -13.02 73300.00
PLOG / 1.0 5.00e+51 -13.02 73300.0 /
PLOG / 10.0 9.70e+48 -11.73 73700.0 /
PLOG / 100.0 4.86e+44 -9.84 73400.0 /
! For the above reaction, deltaHrxn(T=298K) = +23.5 kcal/mol
C2H2+CH3=C3H5-S 3.200e+35 -7.76 13300.00
PLOG / 1.0 3.20e+35 -7.76 13300.0 /
PLOG / 10.0 2.40e+38 -8.21 17100.0 /
PLOG / 100.0 1.40e+39 -8.06 20200.0 /
! For the above reaction, deltaHrxn(T=298K) = -25.6 kcal/mol
C3H4-A+H=C3H5-S 5.400e+29 -6.09 16300.00
PLOG / 1.0 5.40e+29 -6.09 16300.0 /
PLOG / 10.0 2.60e+31 -6.23 18700.0 /
PLOG / 100.0 3.20e+31 -5.88 21500.0 /
! For the above reaction, deltaHrxn(T=298K) = -33.1 kcal/mol
HOCO+C3H5-S=CO2+C3H6 1.287e+13 0.02 -151.93
C3H5-S+CH3OCH3=C3H6+CH3OCH2 3.013e+02 3.25 5193.65
C3H5-S+C3H8=C3H6+IC3H7 1.020e+03 3.10 8820.00
C3H5-S+C3H8=C3H6+NC3H7 3.013e+02 3.25 5193.65
CH3OCH2O+C3H5-S=CH3OCHO+C3H6 2.420e+12 0.00 0.00
C3H5-S+CH3OCHO=C3H6+CH3OCO 8.130e+10 0.00 3680.00
C3H5-S+CH3OCHO=C3H6+CH2OCHO 1.506e+02 3.25 5193.65
C3H5-S+CH3CHO=C3H6+CH3CO 8.130e+10 0.00 3680.00
C3H5-S+H=C3H4-P+H2 3.340e+12 0.00 0.00
C3H5-S+CH3=C3H4-P+CH4 1.000e+11 0.00 0.00
C3H4-P+H=C3H5-S 5.500e+28 -5.74 4300.00
PLOG / 1.0 5.50e+28 -5.74 4300.0 /
PLOG / 10.0 1.00e+34 -6.88 8900.0 /
PLOG / 100.0 9.70e+37 -7.63 13800.0 /
! For the above reaction, deltaHrxn(T=298K) = -32.3 kcal/mol
C3H5-S+C3H3=C3H6+C3H2 2.940e+13 0.00 13100.00
C3H5-T=C3H5-S 1.500e+48 -12.71 53900.00
PLOG / 1.0 1.50e+48 -12.71 53900.0 /
PLOG / 10.0 5.10e+52 -13.37 57200.0 /
PLOG / 100.0 5.80e+51 -12.43 59200.0 /
! For the above reaction, deltaHrxn(T=298K) = +3.6 kcal/mol
C3H5-S+C3H6=C3H6+C3H5-T 8.420e-01 3.50 9670.00
CH3OH+C3H5-S=CH2OH+C3H6 1.506e+02 3.25 5193.65
CH3OH+C3H5-S=CH3O+C3H6 1.440e+01 3.10 6940.00
C2H5OH+C3H5-S=C2H5O+C3H6 1.440e+01 3.10 6940.00
C2H+C3H6=C2H2+C3H5-S 1.210e+12 0.00 0.00
C2H4+C3H5-S=C2H3+C3H6 5.880e+13 0.00 13100.00
C2H6+C3H5-S=C2H5+C3H6 3.013e+02 3.25 5193.65
C3H4-A+C3H5-S=C3H3+C3H6 5.880e+13 0.00 13100.00
C3H6+C3H5-S=C3H5-A+C3H6 2.319e+13 0.00 7500.00
CH2O+C3H5-S=HCO+C3H6 5.420e+03 2.81 5860.00
CH2CO+C3H5-S=HCCO+C3H6 2.940e+13 0.00 13100.00
C4H10+C3H5-S=PC4H9+C3H6 3.013e+02 3.25 5193.65
C4H10+C3H5-S=SC4H9+C3H6 2.040e+03 3.10 8820.00
CH3CHO+C3H5-S=CH2CHO+C3H6 1.506e+02 3.25 5193.65
CH3O2H+C3H5-S=CH2O2H+C3H6 1.506e+02 3.25 5193.65
CH3O2H+C3H5-S=CH3O2+C3H6 1.000e+00 3.52 -7480.00
C3H4-P+C3H5-S=C3H3+C3H6 1.506e+02 3.25 5193.65
C3H5-S+C2H5=C3H6+C2H4 4.560e+14 -0.70 0.00
C3H5-S+CH3O=C3H6+CH2O 4.096e+13 -0.17 1997.40
C3H5-S+CH2OH=C3H6+CH2O 3.010e+13 0.00 0.00
C3H5-S+CH2CHO=C3H6+CH2CO 3.489e+12 -0.07 2680.75
C3H5-S+C3H5-A=C3H6+C3H4-A 2.410e+12 0.00 0.00
C3H5-S+C2H5O=C3H6+CH3CHO 2.420e+12 0.00 0.00
C3H5-S+IC3H7=C3H6+C3H6 9.120e+14 -0.70 0.00
C3H5-S+NC3H7=C3H6+C3H6 2.420e+12 0.00 0.00
C3H5-S+CH3CO=C3H6+CH2CO 4.096e+13 -0.17 1997.40
C3H5-S+C3H5-T=C3H6+C3H4-A 4.096e+13 -0.17 1997.40
CH3CO+O=CH3CO2 1.000e+13 0.00 0.00
C4H8-1+H=PC4H9 2.500e+11 0.51 2620.00
C4H8-1+H=SC4H9 4.240e+11 0.51 1230.00
PC4H9+O2=C4H8-1+HO2 2.000e-18 0.00 5000.00
SC4H9+O2=C4H8-1+HO2 2.000e-18 0.00 5000.00
C2H3+C2H5=C4H8-1 9.000e+12 0.00 0.00
PC4H9O2=C4H8-1+HO2 5.044e+38 -8.11 40490.00
SC4H9O2=C4H8-1+HO2 5.075e+42 -9.41 41490.00
CH3OCH2+PC4H9=CH3OCH3+C4H8-1 9.640e+11 0.00 0.00
CH3OCH2+SC4H9=CH3OCH3+C4H8-1 8.670e+12 0.00 0.00
IC3H7+PC4H9=C3H8+C4H8-1 1.026e+14 -0.35 0.00
IC3H7+SC4H9=C3H8+C4H8-1 6.330e+14 -0.70 0.00
NC3H7+PC4H9=C3H8+C4H8-1 2.900e+12 0.00 0.00
NC3H7+SC4H9=C3H8+C4H8-1 6.900e+13 -0.35 0.00
CH3OCO+PC4H9=CH3OCHO+C4H8-1 4.380e+12 0.04 2496.94
CH3OCO+SC4H9=CH3OCHO+C4H8-1 4.096e+13 -0.17 1997.40
CH2OCHO+PC4H9=CH3OCHO+C4H8-1 9.640e+11 0.00 0.00
CH2OCHO+SC4H9=CH3OCHO+C4H8-1 8.670e+12 0.00 0.00
CH3CO+PC4H9=CH3CHO+C4H8-1 4.380e+12 0.04 2496.94
CH3CO+SC4H9=CH3CHO+C4H8-1 4.096e+13 -0.17 1997.40
C3H2+PC4H9=C3H3+C4H8-1 4.840e+12 0.00 0.00
C3H2+SC4H9=C3H3+C4H8-1 9.120e+14 -0.70 0.00
C3H5-T+PC4H9=C3H6+C4H8-1 2.420e+12 0.00 0.00
C3H5-T+SC4H9=C3H6+C4H8-1 4.560e+14 -0.70 0.00
C3H5-S+PC4H9=C3H6+C4H8-1 2.420e+12 0.00 0.00
C3H5-S+SC4H9=C3H6+C4H8-1 4.560e+14 -0.70 0.00
SC4H9+OH=C4H8-1+H2O 2.410e+13 0.00 0.00
PC4H9+OH=C4H8-1+H2O 2.410e+13 0.00 0.00
SC4H9+CH3=C4H8-1+CH4 2.190e+14 -0.68 0.00
PC4H9+CH3=C4H8-1+CH4 1.150e+13 -0.32 0.00
SC4H9+CH2OH=C4H8-1+CH3OH 2.890e+12 0.00 0.00
SC4H9+CH3O=C4H8-1+CH3OH 2.410e+13 0.00 0.00
PC4H9+CH2OH=C4H8-1+CH3OH 4.820e+11 0.00 0.00
PC4H9+CH3O=C4H8-1+CH3OH 2.410e+13 0.00 0.00
SC4H9+C2H5O=C4H8-1+C2H5OH 2.410e+13 0.00 0.00
PC4H9+C2H5O=C4H8-1+C2H5OH 2.410e+13 0.00 0.00
SC4H9+H=C4H8-1+H2 3.610e+12 0.00 0.00
PC4H9+H=C4H8-1+H2 1.810e+12 0.00 0.00
SC4H9+O=C4H8-1+OH 3.010e+13 0.00 0.00
PC4H9+O=C4H8-1+OH 1.810e+12 0.00 0.00
SC4H9+HO2=C4H8-1+H2O2 2.410e+13 0.00 0.00
PC4H9+HO2=C4H8-1+H2O2 2.410e+13 0.00 0.00
SC4H9+C2H=C4H8-1+C2H2 3.610e+12 0.00 0.00
PC4H9+C2H=C4H8-1+C2H2 6.030e+12 0.00 0.00
SC4H9+C2H3=C4H8-1+C2H4 1.520e+14 -0.70 0.00
PC4H9+C2H3=C4H8-1+C2H4 1.210e+12 0.00 0.00
SC4H9+C2H5=C4H8-1+C2H6 2.300e+13 -0.35 0.00
PC4H9+C2H5=C4H8-1+C2H6 1.450e+12 0.00 0.00
SC4H9+C3H3=C4H8-1+C3H4-A 1.520e+14 -0.70 0.00
PC4H9+C3H3=C4H8-1+C3H4-A 1.210e+12 0.00 0.00
SC4H9+C3H5-A=C4H8-1+C3H6 2.290e+13 -0.35 -130.00
PC4H9+C3H5-A=C4H8-1+C3H6 1.450e+12 0.00 -130.00
SC4H9+HCO=C4H8-1+CH2O 1.365e+13 -0.17 1997.40
PC4H9+HCO=C4H8-1+CH2O 2.190e+12 0.04 2496.94
SC4H9+HCCO=C4H8-1+CH2CO 1.520e+14 -0.70 0.00
PC4H9+HCCO=C4H8-1+CH2CO 1.210e+12 0.00 0.00
SC4H9+CH2=C4H8-1+CH3 3.010e+13 0.00 0.00
PC4H9+CH2=C4H8-1+CH3 1.810e+12 0.00 0.00
SC4H9+PC4H9=C4H8-1+C4H10 2.300e+13 -0.35 0.00
SC4H9+SC4H9=C4H8-1+C4H10 2.110e+14 -0.70 0.00
PC4H9+PC4H9=C4H8-1+C4H10 1.450e+12 0.00 0.00
SC4H9+CH2CHO=C4H8-1+CH3CHO 1.150e+13 -0.23 -43.33
PC4H9+CH2CHO=C4H8-1+CH3CHO 1.004e+12 0.00 -43.33
SC4H9+CH2O2H=C4H8-1+CH3O2H 2.890e+12 0.00 0.00
SC4H9+CH3O2=C4H8-1+CH3O2H 2.410e+13 0.00 0.00
PC4H9+CH2O2H=C4H8-1+CH3O2H 4.820e+11 0.00 0.00
PC4H9+CH3O2=C4H8-1+CH3O2H 2.410e+13 0.00 0.00
SC4H9+C3H3=C4H8-1+C3H4-P 1.150e+13 -0.23 -43.33
PC4H9+C3H3=C4H8-1+C3H4-P 1.004e+12 0.00 -43.33
H+C4H71-3=C4H8-1 5.000e+13 0.00 0.00
C4H8-1+O2=C4H71-3+HO2 2.000e+13 0.00 37190.00
C4H8-1+H=C4H71-3+H2 3.376e+05 2.36 207.00
C4H8-1+OH=C4H71-3+H2O 2.764e+04 2.64 -1919.00
C4H8-1+CH3=C4H71-3+CH4 3.690e+00 3.31 4002.00
C4H8-1+HO2=C4H71-3+H2O2 4.820e+03 2.55 10530.00
C4H8-1+CH3O2=C4H71-3+CH3O2H 4.820e+03 2.55 10530.00
C4H8-1+CH3O=C4H71-3+CH3OH 4.000e+01 2.90 8609.00
C4H8-1+C3H5-A=C4H71-3+C3H6 7.900e+10 0.00 12400.00
C4H71-3+C2H5=C4H8-1+C2H4 2.590e+12 0.00 -131.00
C4H71-3+CH3O=C4H8-1+CH2O 2.410e+13 0.00 0.00
C4H8-1+O=C4H71-3+OH 4.780e+04 2.71 2110.00
C4H8-1+CH2=C4H71-3+CH3 1.510e+00 3.46 7470.00
C4H8-1+C2H=C4H71-3+C2H2 1.210e+12 0.00 0.00
C4H8-1+C2H3=C4H71-3+C2H4 1.004e+02 3.25 5193.65
C4H8-1+C2H5=C4H71-3+C2H6 3.120e-04 4.31 3390.00
C4H8-1+C3H3=C4H71-3+C3H4-A 1.004e+02 3.25 5193.65
C4H8-1+C3H3=C4H71-3+C3H4-P 4.467e-02 4.24 12200.00
C4H8-1+HCO=C4H71-3+CH2O 1.080e+07 1.90 17010.00
C4H8-1+CH2OH=C4H71-3+CH3OH 4.781e-02 4.07 10198.33
C4H8-1+HCCO=C4H71-3+CH2CO 1.004e+02 3.25 5193.65
C4H8-1+CH2CHO=C4H71-3+CH3CHO 4.781e-02 4.07 10198.33
C4H8-1+PC4H9=C4H71-3+C4H10 3.120e-04 4.31 3390.00
C4H8-1+SC4H9=C4H71-3+C4H10 2.677e-02 4.20 13444.49
C4H8-1+CH2O2H=C4H71-3+CH3O2H 4.781e-02 4.07 10198.33
C4H8-1+C2H5O=C4H71-3+C2H5OH 2.379e+08 1.08 10393.00
C4H8-1+CH3OCH2=C4H71-3+CH3OCH3 4.781e-02 4.07 10198.33
C4H8-1+IC3H7=C4H71-3+C3H8 2.677e-02 4.20 13444.49
C4H8-1+NC3H7=C4H71-3+C3H8 3.120e-04 4.31 3390.00
C4H8-1+CH3OCO=C4H71-3+CH3OCHO 1.223e+04 2.76 14735.00
C4H8-1+CH2OCHO=C4H71-3+CH3OCHO 4.781e-02 4.07 10198.33
C4H8-1+CH3CO=C4H71-3+CH3CHO 1.223e+04 2.76 14735.00
C4H8-1+C3H2=C4H71-3+C3H3 2.008e+02 3.25 5193.65
C4H8-1+C3H5-T=C4H71-3+C3H6 3.228e-02 4.22 2491.90
C4H8-1+C3H5-S=C4H71-3+C3H6 1.004e+02 3.25 5193.65
HOCO+C4H71-3=CO2+C4H8-1 1.287e+13 0.02 -151.93
C3H5-T+C4H71-3=C3H4-A+C4H8-1 4.096e+13 -0.17 1997.40
C3H5-A+C4H71-3=C3H4-A+C4H8-1 4.580e+12 -0.35 -130.00
IC3H7+C4H71-3=C3H6+C4H8-1 1.266e+15 -0.70 0.00
NC3H7+C4H71-3=C3H6+C4H8-1 2.630e+04 2.00 570.00
CH2OH+C4H71-3=CH2O+C4H8-1 2.350e+12 0.00 0.00
CH3CO+C4H71-3=CH2CO+C4H8-1 4.096e+13 -0.17 1997.40
CH2CHO+C4H71-3=CH2CO+C4H8-1 5.655e+12 -0.03 877.67
C2H5O+C4H71-3=CH3CHO+C4H8-1 1.514e+11 0.23 131.67
CH3OCH2O+C4H71-3=CH3OCHO+C4H8-1 1.514e+11 0.23 131.67
SC4H9+C4H71-3=C4H8-1+C4H8-1 6.330e+14 -0.70 0.00
PC4H9+C4H71-3=C4H8-1+C4H8-1 2.630e+04 2.00 570.00
C4H6+H=C3H4-A+CH3 2.000e+12 0.00 7000.00
C4H6+H=C3H4-P+CH3 2.000e+12 0.00 7000.00
C4H71-3+C4H71-3=C4H8-1+C4H6 1.600e+12 0.00 0.00
C4H6+H=C4H71-3 4.000e+13 0.00 1300.00
C3H5-A+C4H71-3=C3H6+C4H6 6.310e+12 0.00 0.00
C4H71-3+O2=C4H6+HO2 1.000e+09 0.00 0.00
H+C4H71-3=C4H6+H2 3.160e+13 0.00 0.00
C2H5+C4H71-3=C4H6+C2H6 3.980e+12 0.00 0.00
C2H3+C4H71-3=C2H4+C4H6 3.980e+12 0.00 0.00
O+C4H71-3=OH+C4H6 9.030e+13 0.00 0.00
OH+C4H71-3=H2O+C4H6 7.230e+13 0.00 0.00
HO2+C4H71-3=H2O2+C4H6 7.230e+13 0.00 0.00
CH2+C4H71-3=CH3+C4H6 9.030e+13 0.00 0.00
CH3+C4H71-3=CH4+C4H6 6.570e+14 -0.68 0.00
C2H+C4H71-3=C2H2+C4H6 1.083e+13 0.00 0.00
C3H3+C4H71-3=C3H4-A+C4H6 4.560e+14 -0.70 0.00
C3H3+C4H71-3=C3H4-P+C4H6 3.451e+13 -0.23 -43.33
HCO+C4H71-3=CH2O+C4H6 4.096e+13 -0.17 1997.40
CH3O+C4H71-3=CH3OH+C4H6 7.230e+13 0.00 0.00
CH2OH+C4H71-3=CH3OH+C4H6 8.670e+12 0.00 0.00
HCCO+C4H71-3=CH2CO+C4H6 4.560e+14 -0.70 0.00
CH2CHO+C4H71-3=CH3CHO+C4H6 3.451e+13 -0.23 -43.33
PC4H9+C4H71-3=C4H10+C4H6 6.900e+13 -0.35 0.00
SC4H9+C4H71-3=C4H10+C4H6 6.330e+14 -0.70 0.00
CH3O2+C4H71-3=CH3O2H+C4H6 7.230e+13 0.00 0.00
CH2O2H+C4H71-3=CH3O2H+C4H6 8.670e+12 0.00 0.00
C2H5O+C4H71-3=C2H5OH+C4H6 7.230e+13 0.00 0.00
CH3OCH2+C4H71-3=CH3OCH3+C4H6 8.670e+12 0.00 0.00
IC3H7+C4H71-3=C3H8+C4H6 6.330e+14 -0.70 0.00
NC3H7+C4H71-3=C3H8+C4H6 6.900e+13 -0.35 0.00
CH3OCO+C4H71-3=CH3OCHO+C4H6 4.096e+13 -0.17 1997.40
CH2OCHO+C4H71-3=CH3OCHO+C4H6 8.670e+12 0.00 0.00
CH3CO+C4H71-3=CH3CHO+C4H6 4.096e+13 -0.17 1997.40
C3H2+C4H71-3=C3H3+C4H6 9.120e+14 -0.70 0.00
C3H5-T+C4H71-3=C3H6+C4H6 4.560e+14 -0.70 0.00
C3H5-S+C4H71-3=C3H6+C4H6 4.560e+14 -0.70 0.00
C4H6+H=C2H4+C2H3 1.460e+30 -4.34 21647.00
PLOG / 1.0 1.46e+30 -4.34 21647.000000000004 /
PLOG / 10.0 5.45e+30 -4.51 21877.0 /
! For the above reaction, deltaHrxn(T=298K) = +5.6 kcal/mol
C2H3+C2H3=C4H6 7.230e+13 0.00 0.00
C4H3-I+H=C2H2+H2CC 2.800e+23 -2.55 10780.00
H2CC+H=C2H2+H 1.000e+14 0.00 0.00
H2CC+OH=CH2CO+H 2.000e+13 0.00 0.00
H2CC+O2=HCO+HCO 1.000e+13 0.00 0.00
H2CC+C2H4=C4H6 1.000e+12 0.00 0.00
C4H8-2+H=SC4H9 2.500e+11 0.51 2620.00
SC4H9+O2=C4H8-2+HO2 2.000e-18 0.00 5000.00
SC4H9O2=C4H8-2+HO2 5.044e+38 -8.11 40490.00
CH3OCH2+SC4H9=CH3OCH3+C4H8-2 9.640e+11 0.00 0.00
IC3H7+SC4H9=C3H8+C4H8-2 1.026e+14 -0.35 0.00
NC3H7+SC4H9=C3H8+C4H8-2 2.900e+12 0.00 0.00
CH3OCO+SC4H9=CH3OCHO+C4H8-2 4.380e+12 0.04 2496.94
CH2OCHO+SC4H9=CH3OCHO+C4H8-2 9.640e+11 0.00 0.00
CH3CO+SC4H9=CH3CHO+C4H8-2 4.380e+12 0.04 2496.94
C3H2+SC4H9=C3H3+C4H8-2 4.840e+12 0.00 0.00
C3H5-T+SC4H9=C3H6+C4H8-2 2.420e+12 0.00 0.00
C3H5-S+CH3=C4H8-2 7.230e+13 0.00 0.00
C3H5-S+SC4H9=C3H6+C4H8-2 2.420e+12 0.00 0.00
H+C4H71-3=C4H8-2 5.000e+13 0.00 0.00
C4H8-2+O2=C4H71-3+HO2 4.000e+13 0.00 39390.00
C4H8-2+H=C4H71-3+H2 3.460e+05 2.50 2492.00
C4H8-2+OH=C4H71-3+H2O 6.240e+06 2.00 -298.00
C4H8-2+CH3=C4H71-3+CH4 4.420e+00 3.50 5675.00
C4H8-2+HO2=C4H71-3+H2O2 1.928e+04 2.60 13910.00
C4H8-2+CH3O2=C4H71-3+CH3O2H 1.928e+04 2.60 13910.00
C4H8-2+CH3O=C4H71-3+CH3OH 1.800e+01 2.95 11990.00
CH3OCH2+C4H8-2=CH3OCH3+C4H71-3 1.416e+02 3.14 13824.62
NC3H7+C4H8-2=C3H8+C4H71-3 3.360e+12 0.00 12400.00
IC3H7+C4H8-2=C3H8+C4H71-3 1.722e+12 0.00 12300.00
CH2OH+C4H8-2=CH3OH+C4H71-3 1.416e+02 3.14 13824.62
C2H5O+C4H8-2=C2H5OH+C4H71-3 1.580e+00 3.82 1630.00
C2H+C4H8-2=C2H2+C4H71-3 3.612e+12 0.00 0.00
C2H3+C4H8-2=C2H4+C4H71-3 4.638e+13 0.00 7500.00
C2H5+C4H8-2=C2H6+C4H71-3 3.360e+12 0.00 12400.00
C3H3+C4H8-2=C3H4-A+C4H71-3 4.638e+13 0.00 7500.00
C3H5-S+C4H8-2=C3H6+C4H71-3 4.638e+13 0.00 7500.00
C3H5-T+C4H8-2=C3H6+C4H71-3 3.312e+13 0.00 7500.00
C3H5-A+C4H8-2=C3H6+C4H71-3 3.468e+13 0.00 21400.00
HCO+C4H8-2=CH2O+C4H71-3 4.692e+04 2.72 18240.00
HCCO+C4H8-2=CH2CO+C4H71-3 4.638e+13 0.00 7500.00
C3H2+C4H8-2=C3H3+C4H71-3 9.276e+13 0.00 7500.00
PC4H9+C4H8-2=C4H10+C4H71-3 3.360e+12 0.00 12400.00
SC4H9+C4H8-2=C4H10+C4H71-3 1.722e+12 0.00 12300.00
CH2CHO+C4H8-2=CH3CHO+C4H71-3 1.416e+02 3.14 13824.62
CH3CO+C4H8-2=CH3CHO+C4H71-3 1.812e+04 2.75 17530.00
CH2O2H+C4H8-2=CH3O2H+C4H71-3 1.416e+02 3.14 13824.62
CH2OCHO+C4H8-2=CH3OCHO+C4H71-3 1.416e+02 3.14 13824.62
CH3OCO+C4H8-2=CH3OCHO+C4H71-3 1.812e+04 2.75 17530.00
C3H3+C4H8-2=C3H4-P+C4H71-3 4.548e+13 0.00 18200.00
C4H8-1+C4H71-3=C4H71-3+C4H8-2 4.781e-02 4.07 10198.33
C4H71-3+SC4H9=C4H8-1+C4H8-2 2.630e+04 2.00 570.00
C4H71-3+C4H71-3=C4H8-2+C4H6 6.870e+13 -0.35 -130.00
C4H71-3+C2H5=C4H8-2+C2H4 6.870e+13 -0.35 -130.00
C4H71-3+CH3O=C4H8-2+CH2O 4.096e+13 -0.17 1997.40
C4H71-3+CH2OH=C4H8-2+CH2O 1.810e+13 0.00 0.00
C4H71-3+CH2CHO=C4H8-2+CH2CO 3.489e+12 -0.07 2680.75
C4H71-3+C3H5-A=C4H8-2+C3H4-A 8.430e+10 0.00 -260.00
C4H71-3+PC4H9=C4H8-2+C4H8-1 2.900e+12 0.00 -130.00
C4H71-3+SC4H9=C4H8-2+C4H8-2 2.900e+12 0.00 -130.00
C4H71-3+HOCO=C4H8-2+CO2 1.287e+13 0.02 -151.93
C4H71-3+C2H5O=C4H8-2+CH3CHO 1.514e+11 0.23 131.67
C4H71-3+IC3H7=C4H8-2+C3H6 1.374e+14 -0.35 -130.00
C4H71-3+NC3H7=C4H8-2+C3H6 2.900e+12 0.00 -130.00
C4H71-3+CH3OCH2O=C4H8-2+CH3OCHO 1.514e+11 0.23 131.67
C4H71-3+CH3CO=C4H8-2+CH2CO 4.096e+13 -0.17 1997.40
C4H71-3+C3H5-T=C4H8-2+C3H4-A 4.096e+13 -0.17 1997.40
C4H8-2+O=C4H71-3+OH 5.700e+03 3.05 3123.00
C4H8-2+CH2=C4H71-3+CH3 5.443e+06 1.73 6190.00
SC4H9+OH=C4H8-2+H2O 2.410e+13 0.00 0.00
SC4H9+CH3=C4H8-2+CH4 1.150e+13 -0.32 0.00
SC4H9+CH2OH=C4H8-2+CH3OH 4.820e+11 0.00 0.00
SC4H9+CH3O=C4H8-2+CH3OH 2.410e+13 0.00 0.00
SC4H9+C2H5O=C4H8-2+C2H5OH 2.410e+13 0.00 0.00
SC4H9+H=C4H8-2+H2 1.810e+12 0.00 0.00
SC4H9+O=C4H8-2+OH 1.810e+12 0.00 0.00
SC4H9+HO2=C4H8-2+H2O2 2.410e+13 0.00 0.00
SC4H9+C2H=C4H8-2+C2H2 6.030e+12 0.00 0.00
SC4H9+C2H3=C4H8-2+C2H4 1.210e+12 0.00 0.00
SC4H9+C2H5=C4H8-2+C2H6 1.450e+12 0.00 0.00
SC4H9+C3H3=C4H8-2+C3H4-A 1.210e+12 0.00 0.00
SC4H9+C3H5-A=C4H8-2+C3H6 1.450e+12 0.00 -130.00
SC4H9+HCO=C4H8-2+CH2O 2.190e+12 0.04 2496.94
SC4H9+HCCO=C4H8-2+CH2CO 1.210e+12 0.00 0.00
SC4H9+CH2=C4H8-2+CH3 1.810e+12 0.00 0.00
SC4H9+PC4H9=C4H8-2+C4H10 1.450e+12 0.00 0.00
SC4H9+SC4H9=C4H8-2+C4H10 5.130e+13 -0.35 0.00
SC4H9+CH2CHO=C4H8-2+CH3CHO 1.004e+12 0.00 -43.33
SC4H9+CH2O2H=C4H8-2+CH3O2H 4.820e+11 0.00 0.00
SC4H9+CH3O2=C4H8-2+CH3O2H 2.410e+13 0.00 0.00
SC4H9+C3H3=C4H8-2+C3H4-P 1.004e+12 0.00 -43.33
C2H5CHCO+O=C3H6+CO2 3.200e+12 0.00 -437.00
C2H5CHCO+OH=NC3H7+CO2 3.730e+12 0.00 -1010.00
C2H5CHCO+H=NC3H7+CO 4.400e+12 0.00 1459.00
C2H5+HCCO=C2H5CHCO 1.000e+13 0.00 0.00
END
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