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Accessibility information
Author(s):   Cohen, N.
Title:   Are reaction rate coefficients additive? Revised transition state theory calculations for OH + alkane reactions
Journal:   Int. J. Chem. Kinet.
Volume:   23
Page(s):   397 - 417
Year:   1991
Reference type:   Journal article
Squib:   1991COH397-417

Associated entries:

Search Results


Rate expression:  k(T) = A (T/298 K)n e-Ea/RT
Rate expression units:
First order:  s-1
Second order:  cm3/molecule s
Third order:  cm6/molecule2 s
R = 8.314472 J / mole K
Energy Units J   Molecular Units Molecule
Pressure Units bar   Temperature Units K
Base Volume Unit cm   Reference Temperature 298.0
Evaluation Temperature 298.0

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Plot   Squib   Reaction   Temp [K]   A   n   Ea [J/mole]   k(298.00 K)   Order
  1991COH397-417   CH4 + ·OH·CH3 + H2O  298 - 1510   1.54E-12   1.60   1.31E04   7.93E-15  2
  1991COH397-417   C2H6 + ·OH·C2H5 + H2O  298 - 2000   1.88E-12   1.80   4739   2.77E-13  2
  1991COH397-417   C3H8 + ·OH → Other Products + H2O  298 - 1220   1.34E-12   2.00   -582   1.70E-12  2
  1991COH397-417   C3H8 + ·OHiso-C3H7 + H2O  295 - 1220   5.91E-13   1.90   -665   7.73E-13  2
  1991COH397-417   C3H8 + ·OH1-C3H7 + H2O  295 - 1220   1.49E-12   1.80   3908   3.08E-13  2
  1991COH397-417   iso-C4H10 + ·OH → Other Products + H2O  298 - 1150   2.62E-13   2.70   -5820   2.75E-12  2
  1991COH397-417   iso-C4H10 + ·OHtert-C4H9 + H2O  298 - 1150   2.14E-13   1.90   -6070   2.48E-12  2
  1991COH397-417   iso-C4H10 + ·OHiso-C4H9 + H2O  298 - 1150   2.42E-12   1.80   6070   2.09E-13  2
  1991COH397-417   (CH3)3CCH2CH3 + ·OH → Other Products + H2O  298 - 500   1.01E-12   2.10   -2328   2.60E-12  2
  1991COH397-417   (CH3)3CCH2CH3 + ·OHH2O + (CH3)3CC(·)H(CH3)  298 - 500   2.14E-13   2.00   -5155   1.72E-12  2
  1991COH397-417   (CH3)3CCH2CH3 + ·OHH2O + C2H5C(CH3)2C(·)H2  298 - 500   1.39E-12   1.80   1164   8.70E-13  2
  1991COH397-417   (CH3)3CCH2CH3 + ·OHH2O + (CH3)3CCH2CH2·  298 - 500   4.52E-13   1.80   4074   8.72E-14  2
  1991COH397-417   (CH3)2CHCH(CH3)2 + ·OH → Other Products + H2O  298 - 2000   2.09E-13   2.70   -8481   6.41E-12  2
  1991COH397-417   (CH3)2CHCH(CH3)2 + ·OHH2O + (CH3)2CHC(·)(CH3)2  298 - 2000   2.94E-13   2.00   -7400   5.82E-12  2
  1991COH397-417   1-C4H10 + ·OH → Other Products + H2O  298 - 2500   1.34E-12   2.10   -1580   2.53E-12  2
  1991COH397-417   1-C4H10 + ·OHsec-C4H9 + H2O  298 - 2500   7.90E-13   2.00   -2494   2.16E-12  2
  1991COH397-417   1-C4H10 + ·OH1-C4H9 + H2O  298 - 2500   1.56E-12   1.80   3991   3.12E-13  2
  1991COH397-417   n-C5H12 + ·OH → Other Products + H2O  298 - 753   9.61E-13   2.20   -3991   4.81E-12  2
  1991COH397-417   n-C5H12 + ·OHCH3CH2CH2CH(·)CH3 + H2O  298 - 753   7.24E-13   2.00   -2494   1.98E-12  2
  1991COH397-417   n-C5H12 + ·OH1-C5H11 + H2O  298 - 753   1.21E-12   1.80   4074   2.34E-13  2
  1991COH397-417   n-C5H12 + ·OHH2O + (CH3CH2)2CH  298 - 753   2.57E-13   2.00   -5737   2.61E-12  2
  1991COH397-417   1-C6H14 + ·OH → Other Products + H2O  298 - 500   9.22E-13   2.20   -4490   5.64E-12  2
  1991COH397-417   1-C6H14 + ·OH2-hexyl radical + H2O  298 - 500   5.86E-13   2.00   -2494   1.60E-12  2
  1991COH397-417   1-C6H14 + ·OH1-hexyl radical + H2O  298 - 500   9.02E-13   1.80   4074   1.74E-13  2
  1991COH397-417   1-C6H14 + ·OHH2O + 3-hexyl radical  298 - 500   4.25E-13   2.00   -5571   4.03E-12  2
  1991COH397-417   n-C8H18 + ·OH → Other Products + H2O  298 - 1000   9.86E-13   2.20   -4989   7.39E-12  2
  1991COH397-417   n-C8H18 + ·OH → 2-C8H17 + H2O  298 - 1000   5.11E-13   2.00   -2494   1.40E-12  2
  1991COH397-417   n-C8H18 + ·OH → 1-C8H17 + H2O  298 - 1000   8.20E-13   1.80   4074   1.58E-13  2
  1991COH397-417   n-C8H18 + ·OHH2O + 4-C8H17  298 - 1000   7.75E-13   2.00   -5654   7.60E-12  2
  1991COH397-417   n-C8H18 + ·OHH2O + 3-C8H17  298 - 1000   7.75E-13   2.00   -5654   7.60E-12  2
  1991COH397-417   n-C9H20 + ·OH → Other Products + H2O  298 - 500   1.31E-12   2.10   -5321   1.12E-11  2
  1991COH397-417   n-C9H20 + ·OHH2O + 1-C9H19  298 - 500   6.99E-13   1.80   4074   1.35E-13  2
  1991COH397-417   1-C10H22 + ·OH → Other Products + H2O  298 - 500   1.13E-12   2.20   -5903   1.22E-11  2
  1991COH397-417   1-C10H22 + ·OHH2O + 1-C10H21  298 - 500   6.66E-13   1.80   4074   1.29E-13  2
  1991COH397-417   1-C10H22 + ·OHH2O + CH3(CH2)7CH(·)CH3  298 - 500   2.94E-13   2.00   -2494   8.04E-13  2
  1991COH397-417   1-C10H22 + ·OHH2O + CH3(CH2)6CH(·)C2H5  298 - 500   9.96E-13   2.00   -5820   1.04E-11  2
  1991COH397-417   1-C10H22 + ·OHH2O + CH3(CH2)4CH(·)CH2CH2CH2CH3  298 - 500   1.00E-12   2.00   -5820   1.05E-11  2
  1991COH397-417   1-C7H16 + ·OH → Other Products + H2O  298 - 500   9.86E-13   2.20   -4989   7.39E-12  2
  1991COH397-417   1-C7H16 + ·OH1-C7H15 + H2O  298 - 500   8.20E-13   1.80   4074   1.58E-13  2
  1991COH397-417   1-C7H16 + ·OH2-C7H15 + H2O  298 - 500   5.60E-13   2.00   -2494   1.53E-12  2
  1991COH397-417   1-C7H16 + ·OHH2O + 3-C7H15  298 - 500   6.44E-13   2.00   -5488   5.90E-12  2
  1991COH397-417   1-C7H16 + ·OHH2O + 4-C7H15  298 - 500   6.44E-13   2.00   -5488   5.90E-12  2
  1991COH397-417   neo-C5H12 + ·OHNeopentyl + H2O  300 - 2000   1.49E-12   1.80   1247      2
  1991COH397-417   2,2,3-Trimethylbutane + ·OH → Other Products + H2O  298 - 2000   4.12E-13   2.50   -5820   4.31E-12  2
  1991COH397-417   2,2,3-Trimethylbutane + ·OHH2O + (CH3)3C-C(·)(CH3)2  298 - 2000   1.37E-13   2.00   -7899   3.33E-12  2
  1991COH397-417   2,2,3-Trimethylbutane + ·OHH2O + (CH3)3CCH(CH3)CH2·  298 - 2000   9.45E-13   1.80   6070   8.16E-14  2
  1991COH397-417   (CH3)2CHCH2C(CH3)3 + ·OH → Other Products + H2O  298 - 1200   7.44E-13   2.30   -4074   3.85E-12  2
  1991COH397-417   (CH3)2CHCH2C(CH3)3 + ·OHH2O + (CH3)3CCH2C(·)(CH3)2  298 - 1200   1.42E-13   1.90   -6070   1.64E-12  2
  1991COH397-417   (CH3)2CHCH2C(CH3)3 + ·OHH2O + (CH3)3CCH2CH(CH3)CH2  298 - 1200   8.40E-13   1.80   5986   7.50E-14  2
  1991COH397-417   (CH3)3CC(CH3)3 + ·OHH2O + (CH3)3CC(CH3)2CH2  298 - 2000   2.26E-12   1.80   1663   1.15E-12  2

Search returned 50 records.