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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:   CH4 + (·)CH2OHCH3OH + ·CH3
Reaction order:   2
Temperature:   300 - 2000 K
Rate expression:   5.03x10-15 [cm3/molecule s] (T/298 K)5.00 e-62151 [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 7.85E-26
400 1.68E-22
500 2.15E-20
600 6.46E-19
700 8.28E-18
800 6.14E-17
900 3.12E-16
1000 1.21E-15
1100 3.86E-15
1200 1.05E-14
1300 2.53E-14
1400 5.52E-14
1500 1.11E-13
1600 2.10E-13
1700 3.74E-13
1800 6.36E-13
1900 1.04E-12
2000 1.63E-12