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Author(s):   Jodkowski, J.T.; Rayez, M.-T.; Rayez, J.-C.
Title:   Theoretical Study of the Kinetics of the Hydrogen Abstraction from Methanol. 3. Reaction of Methanol with Hydrogen Atom, Methyl, and Hydroxyl Radicals
Journal:   J. Phys. Chem. A
Volume:   103
Page(s):   3750 - 3765
Year:   1999
Reference type:   Journal article
Squib:   1999JOD/RAY3750-3765

Reaction:   CH3OH + ·CH3CH4 + (·)CH2OH
Reaction order:   2
Temperature:   300 - 2000 K
Rate expression:   1.35x10-15 [cm3/molecule s] (T/298 K)4.90 e-28103 [J/mole]/RT
Category:  Theory
Data type:   Ab initio
Comments:   The calculated rate constants are in good agreement with experiment.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
300 1.79E-20
400 1.23E-18
500 1.98E-17
600 1.50E-16
700 7.12E-16
800 2.50E-15
900 7.13E-15
1000 1.74E-14
1100 3.77E-14
1200 7.46E-14
1300 1.37E-13
1400 2.38E-13
1500 3.91E-13
1600 6.18E-13
1700 9.42E-13
1800 1.39E-12
1900 2.00E-12
2000 2.81E-12