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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:   CH3CH2C(CH3)2O(·) → Acetone + ·C2H5
Reaction order:   1
Temperature:   200 - 700 K
Rate expression:   1.1x1014 [s-1] e-45700 [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 1.28E2
250 3.11E4
300 1.21E6
350 1.66E7
400 1.18E8
450 5.45E8
500 1.85E9
550 5.03E9
600 1.16E10
650 2.34E10
700 4.28E10