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Accessibility information
Author(s):   Huynh, L.K.; Violi, A.
Title:   Thermal decomposition of methyl butanoate: Ab initio study of a biodiesel fuel surrogate
Journal:   J. Org. Chem.
Volume:   73
Page(s):   94 - 101
Year:   2008
Reference type:   Journal article
Squib:   2008HUY/VIO94-101

Reaction:   CH3OC(·)(O) → CO + CH3
Reaction order:   1
Temperature:   300 - 2500 K
Rate expression:   3.27x1013 [s-1] (T/298 K)0.65 e-88379 [J/mole]/RT
Category:  Theory
Data type:   Ab initio
Comments:   The authors presented the Arrhenius expressions for rate constant using erroneous units for activation energy [kcal/mol]

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
300 1.35E-2
400 1.14E2
500 2.68E4
600 1.05E6
700 1.45E7
800 1.06E8
900 4.99E8
1000 1.74E9
1100 4.87E9
1200 1.15E10
1300 2.40E10
1400 4.52E10
1500 7.84E10
1600 1.27E11
1700 1.96E11
1800 2.88E11
1900 4.07E11
2000 5.56E11
2100 7.40E11
2200 9.60E11
2300 1.22E12
2400 1.52E12
2500 1.86E12