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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:   2.98x1014 [s-1] e-289951 [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.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
500 1.53E-16
600 1.71E-11
700 6.89E-8
800 3.49E-5
900 4.43E-3
1000 2.13E-1
1100 5.08E0
1200 7.13E1
1300 6.67E2
1400 4.53E3
1500 2.38E4
1600 1.02E5
1700 3.68E5
1800 1.15E6
1900 3.18E6
2000 7.97E6
2100 1.83E7
2200 3.89E7
2300 7.75E7
2400 1.46E8
2500 2.61E8