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Accessibility information
Author(s):   Senosiain, J.P.; Klippenstein, S.J.; Miller, J.A.
Title:   Pathways and rate coefficients for the decomposition of vinoxy and acetyl radicals
Journal:   J. Phys. Chem. A
Volume:   110
Page(s):   5772 - 5781
Year:   2006
Reference type:   Journal article
Squib:   2006SEN/KLI5772-5781

Reaction:   H2C=C=O + CO + ·CH3
Reaction order:   2
Temperature:   200 - 2500 K
Rate expression:   4.99x10-12 [cm3/molecule s] (T/298 K)1.45 e-11632 [J/mole]/RT
Category:  Theory
Data type:   Transition state theory
Pressure dependence:   Rate constant is low pressure limit
Comments:   Reaction potential energy surface was studied using quantum chemistry and rate constants were calculated using RRKM theory.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
200 2.57E-15
300 4.76E-14
400 2.32E-13
500 6.44E-13
600 1.34E-12
700 2.33E-12
800 3.64E-12
900 5.24E-12
1000 7.13E-12
1100 9.30E-12
1200 1.17E-11
1300 1.44E-11
1400 1.73E-11
1500 2.05E-11
1600 2.38E-11
1700 2.74E-11
1800 3.11E-11
1900 3.51E-11
2000 3.92E-11
2100 4.35E-11
2200 4.80E-11
2300 5.26E-11
2400 5.74E-11
2500 6.23E-11