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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(·) → C2H5COCH3 + ·CH3
Reaction order:   1
Temperature:   200 - 700 K
Rate expression:   1.3x1014 [s-1] e-60400 [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 2.18E-2
250 3.12E1
300 3.96E3
350 1.26E5
400 1.69E6
450 1.27E7
500 6.37E7
550 2.39E8
600 7.17E8
650 1.82E9
700 4.05E9