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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)OC2H5CH3CHO + HOCH
Reaction order:   1
Temperature:   500 - 2500 K
Pressure:  1.01E-2 - 101 bar
Rate expression:   1.09x1014 [s-1] e-452290 [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 6.14E-34
600 4.60E-26
700 1.94E-20
800 3.21E-16
900 6.13E-13
1000 2.59E-10
1100 3.63E-8
1200 2.24E-6
1300 7.32E-5
1400 1.45E-3
1500 1.94E-2
1600 1.87E-1
1700 1.38E0
1800 8.18E0
1900 4.01E1
2000 1.68E2
2100 6.13E2
2200 1.99E3
2300 5.83E3
2400 1.56E4
2500 3.87E4