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Accessibility information
Author(s):   Cohen, N.; Westberg, K.R.
Title:   The use of transition-state theory to extrapolate rate coefficients for reactions of O atoms with alkanes
Journal:   Int. J. Chem. Kinet.
Volume:   18
Page(s):   99 - 140
Year:   1986
Reference type:   Journal article
Squib:   1986COH/WES99-140

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
  1986COH/WES99-140   CH4 + ·CH3 + ·OH  300 - 2000   2.26E-12   2.20   3.18E04      2
  1986COH/WES99-140   C2H6 + ·C2H5 + ·OH  300 - 2000   5.11E-12   2.40   2.44E04      2
  1986COH/WES99-140   C3H8 + → Other Products + ·OH  300 - 2000   5.76E-13   3.50   1.06E04      2
  1986COH/WES99-140   C3H8 + iso-C3H7 + ·OH  300 - 2000   1.40E-12   2.50   1.31E04      2
  1986COH/WES99-140   C3H8 + 1-C3H7 + ·OH  300 - 2000   5.35E-12   2.40   2.30E04      2
  1986COH/WES99-140   iso-C4H10 + → Other Products + ·OH  300 - 2000   1.48E-13   3.90   665      2
  1986COH/WES99-140   iso-C4H10 + tert-C4H9 + ·OH  300 - 2000   5.45E-13   2.50   3866      2
  1986COH/WES99-140   iso-C4H10 + ·OH + iso-C4H9  300 - 2000   8.29E-12   2.40   2.31E04      2
  1986COH/WES99-140   (CH3)2CHCH(CH3)2 + → Other Products + ·OH  250 - 2000   3.14E-13   3.60   1164   1.96E-13  2
  1986COH/WES99-140   (CH3)2CHCH(CH3)2 + ·OH + (CH3)2CHC(·)(CH3)2  250 - 2000   9.25E-13   2.50   3700   2.08E-13  2
  1986COH/WES99-140   1-C4H10 + → Other Products + ·OH  250 - 2000   3.47E-13   3.90   6485   2.53E-14  2
  1986COH/WES99-140   1-C4H10 + sec-C4H9 + ·OH  250 - 2000   1.93E-12   2.60   1.08E04   2.46E-14  2
  1986COH/WES99-140   1-C4H10 + 1-C4H9 + ·OH  250 - 2000   7.06E-12   2.40   2.30E04   6.48E-16  2
  1986COH/WES99-140   n-C5H12 + → Other Products + ·OH  250 - 2000   1.68E-12   3.00   8398   5.66E-14  2
  1986COH/WES99-140   n-C5H12 + CH3CH2CH2CH(·)CH3 + ·OH  250 - 2000   2.37E-12   2.50   9312   5.54E-14  2
  1986COH/WES99-140   n-C5H12 + 1-C5H11 + ·OH  250 - 2000   6.29E-12   2.40   2.30E04   5.78E-16  2
  1986COH/WES99-140   1-C6H14 + → Other Products + ·OH  250 - 2000   2.49E-12   2.90   8314   8.69E-14  2
  1986COH/WES99-140   1-C6H14 + 2-hexyl radical + ·OH  250 - 2000   3.11E-12   2.60   8813   8.86E-14  2
  1986COH/WES99-140   1-C6H14 + 1-hexyl radical + ·OH  250 - 2000   5.35E-12   2.40   2.30E04   4.91E-16  2
  1986COH/WES99-140   Cyclohexane + Cyclohexyl + ·OH  300 - 2000   1.16E-11   2.60   1.07E04      2
  1986COH/WES99-140   n-C8H18 + → Other Products + ·OH  250 - 2000   2.67E-12   2.80   6984   1.60E-13  2
  1986COH/WES99-140   n-C8H18 + → 2-C8H17 + ·OH  250 - 2000   3.11E-12   2.60   7400   1.57E-13  2
  1986COH/WES99-140   n-C8H18 + ·OH + 1-C8H17  250 - 2000   3.62E-12   2.40   2.30E04   3.33E-16  2
  1986COH/WES99-140   1-C7H16 + → Other Products + ·OH  250 - 2000   2.32E-12   2.90   7317   1.21E-13  2
  1986COH/WES99-140   1-C7H16 + ·OH + 1-C7H15  250 - 2000   4.15E-12   2.40   2.30E04   3.81E-16  2
  1986COH/WES99-140   1-C7H16 + ·OH + 2-C7H15  250 - 2000   3.11E-12   2.60   7982   1.24E-13  2
  1986COH/WES99-140   Cyclopentane + ·OH + Cyclopentyl  300 - 2000   1.30E-11   2.60   1.16E04      2
  1986COH/WES99-140   Cycloheptane + ·OH + Cycloheptyl  300 - 2000   9.61E-12   2.60   9063      2
  1986COH/WES99-140   neo-C5H12 + ·OH + Neopentyl  300 - 2000   6.39E-12   2.50   2.26E04      2
  1986COH/WES99-140   (CH3)3CC(CH3)3 + ·OH + (CH3)3CC(CH3)2CH2  300 - 2000   8.22E-12   2.50   2.14E04      2

Search returned 30 records.