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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:   C6H5CH2O· → 1-oxaspiro[2.5]octa-4,7-dien-5-yl
Reaction order:   1
Temperature:   298 - 2000 K
Rate expression:   1.13x1012 [s-1] (T/298 K)0.40 e-46735 [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 7.26E3
300 8.26E3
400 1.00E6
500 1.82E7
600 1.27E8
700 5.17E8
800 1.49E9
900 3.40E9
1000 6.62E9
1100 1.15E10
1200 1.82E10
1300 2.69E10
1400 3.77E10
1500 5.07E10
1600 6.57E10
1700 8.28E10
1800 1.02E11
1900 1.23E11
2000 1.45E11