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©NIST, 2013
Accessibility information
Author(s):   Balla, R.; Muthaiah, B.; Arathala, P.
Title:   Experimental and RRKM Investigations on the Degradation of Ethyl Formate
Journal:   ChemistrySelect
Volume:   2
Page(s):   11603 - 11614
Year:   2017
Reference type:   Journal article
Squib:   2017BAL/MUT11603-11614

Reaction:   HC(O)OC2H5HCOOH + C2H4
Reaction order:   1
Temperature:   500 - 2500 K
Pressure:  1.01E-2 - 101 bar
Rate expression:   2.45x1013 [s-1] e-220915 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is high pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using transition state theory and RRKM. Rate constants were calculated for wide ranges of temperatures and pressures; however, only the high-pressure-limit rate expressions are given in the article. Prssure-dependent data are presented in tabular and graphical formats. Ethylene elimination (this channel) is the major reaction pathway.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
500 2.05E-10
600 1.44E-6
700 8.03E-4
800 9.23E-2
900 3.70E0
1000 7.08E1
1100 7.92E2
1200 5.93E3
1300 3.26E4
1400 1.40E5
1500 4.97E5
1600 1.50E6
1700 3.99E6
1800 9.52E6
1900 2.07E7
2000 4.16E7
2100 7.84E7
2200 1.39E8
2300 2.36E8
2400 3.81E8
2500 5.94E8