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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:   1-oxaspiro[2.5]octa-4,7-dien-5-yl → C6H5CH2
Reaction order:   1
Temperature:   298 - 2000 K
Rate expression:   1.06x1013 [s-1] (T/298 K)-0.03 e-7029 [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 6.24E11
300 6.36E11
400 1.27E12
500 1.93E12
600 2.55E12
700 3.10E12
800 3.59E12
900 4.02E12
1000 4.40E12
1100 4.74E12
1200 5.04E12
1300 5.31E12
1400 5.55E12
1500 5.76E12
1600 5.96E12
1700 6.13E12
1800 6.29E12
1900 6.44E12
2000 6.57E12