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Title: Kinetic parameters and geometry of the transition state in the unimolecular degradation of alcohols
Journal: Petrol. Chem.
Volume: 49
Page(s): 343 - 353
Year: 2009
Reference type: Journal article
Squib: 2009POK/DEN343-353
Reaction:
C2H5OH → C2H4 + H2O
Reaction order:
1
Temperature:
800
K
Rate expression:
3.92x1013 [s-1] (T/298 K)0.50 e-256800 [J/mole]/RT
Category: Theory
Data type:
Estimated: thermochemical, kinetic, or other
Pressure dependence:
Rate constant is high pressure limit
Comments:
The activation energies and the rate constants were calculated for 30 alcohol degradation reactions using the method of crossing parabolas. The rate constant value given for the temperature of 800 K (3.3x10-3 s-1) is inconsistent with the reported Arrhenius parameters.
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