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Accessibility information
Author(s):   Ning, H.; Wu, J.; Ma, L.; Ren, W.; Davidson, D.F.; Hanson, R.K.
Title:   Combined Ab lnitio, Kinetic Modeling, and Shock Tube Study of the Thermal Decomposition of Ethyl Formate
Journal:   J. Phys. Chem. A
Volume:   121
Page(s):   6568 - 6579
Year:   2017
Reference type:   Journal article
Squib:   2017NIN/WU6568-6579

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
  2017NIN/WU6568-6579   HC(O)OC2H5·CH3 + HC(O)OCH2(·)  300 - 2000   1.01E16   -0.35   3.66E05      1
  2017NIN/WU6568-6579   HC(O)OC2H5 → ·OC(O)H + ·C2H5  300 - 2000   4.40E15   0.05   3.51E05      1
  2017NIN/WU6568-6579   HC(O)OC2H5HCOOH + C2H4  300 - 2000   3.92E08   4.16   1.76E05      1
  2017NIN/WU6568-6579   HC(O)OC2H5C2H5OH + CO  300 - 2000   3.83E05   8.40   2.20E05      1
  2017NIN/WU6568-6579   CH3CH2OC(O)· → CO2 + ·C2H5  300 - 2000   3.42E13   0.43   6.10E04      1
  2017NIN/WU6568-6579   CH3CH2OC(O)· → CO + CH3CH2  300 - 2000   5.09E13   0.52   9.86E04      1
  2017NIN/WU6568-6579   ·CH2CH2OC(O)H → ·OC(O)H + C2H4  300 - 2000   1.46E13   0.26   1.05E05      1
  2017NIN/WU6568-6579   CH3CH(·)OC(O)H → CH3CHO + HCO  300 - 2000   4.93E13   -0.10   1.24E05      1

Search returned 8 records.