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Author(s):   Buback, M.; Kling, M.; Schmatz, S.
Title:   Decomposition of tertiary alkoxy radicals
Journal:   Z. Phys. Chem.
Volume:   219
Page(s):   1205 - 1222
Year:   2005
Reference type:   Journal article
Squib:   2005BUB/KLI1205-1222

Reaction:   (CH3)3CO → (CH3)2CO + ·CH3
Reaction order:   1
Temperature:   200 - 700 K
Rate expression:   1.3x1014 [s-1] e-62600 [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.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
200 5.82E-3
250 1.08E1
300 1.64E3
350 5.91E4
400 8.70E5
450 7.04E6
500 3.75E7
550 1.48E8
600 4.62E8
650 1.21E9
700 2.77E9