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Author(s):   da Silva, G.; Bozzelli, J.W.
Title:   Benzoxyl Radical Decomposition Kinetics: Formation of Benzaldehyde plus H, Phenyl + CH2O, and Benzene plus HCO
Journal:   J. Phys. Chem. A
Volume:   113
Page(s):   6979 - 6986
Year:   2009
Reference type:   Journal article
Squib:   2009DAS/BOZ6979-6986

Reaction:   C6H5OCH2· → CH2O + Phenyl
Reaction order:   1
Temperature:   298 - 2000 K
Rate expression:   3.55x1014 [s-1] (T/298 K)0.05 e-164348 [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.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
298 5.54E-15
300 8.62E-15
400 1.25E-7
500 2.47E-3
600 1.82E0
700 2.03E2
800 6.96E3
900 1.09E5
1000 9.87E5
1100 5.98E6
1200 2.69E7
1300 9.58E7
1400 2.85E8
1500 7.33E8
1600 1.68E9
1700 3.48E9
1800 6.66E9
1900 1.19E10
2000 2.01E10