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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 → C6H5OCH2·
Reaction order:   1
Temperature:   298 - 2000 K
Rate expression:   1.19x1013 [s-1] (T/298 K)0.23 e-40627 [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 9.02E5
300 1.01E6
400 6.32E7
500 7.66E8
600 4.08E9
700 1.35E10
800 3.34E10
900 6.76E10
1000 1.19E11
1100 1.90E11
1200 2.81E11
1300 3.92E11
1400 5.21E11
1500 6.68E11
1600 8.32E11
1700 1.01E12
1800 1.20E12
1900 1.40E12
2000 1.61E12