Kinetics Database Logo

Kinetics Database Resources

Simple Reaction Search

Search Reaction Database

Search Bibliographic Database

Set Unit Preferences

Feedback

Rate Our Products and Services

Help


Other Databases

NIST Standard Reference Data Program

NIST Chemistry Web Book

NDRL-NIST Solution Kinetics Database

NIST Computational Chemistry Comparison and Benchmark Database

The NIST Reference on Constants, Units, and Uncertainty

More...


Administrative Links

NIST home page

MML home page

Chemical and Biochemical Reference Data Division

MML home page

Chemical and Biochemical Reference Data Division

  NIST Logo Home
©NIST, 2013
Accessibility information
Author(s):   Jasper, A.W.; Klippenstein, S.J.; Harding, L.B.; Ruscic, B.
Title:   Kinetics of the reaction of methyl radical with hydroxyl radical and methanol decomposition
Journal:   J. Phys. Chem. A
Volume:   111
Page(s):   3932 - 3950
Year:   2007
Reference type:   Journal article
Squib:   2007JAS/KLI3932-3950

Reaction:   CH3OH → CH2(1) + H2O
Reaction order:   1
Temperature:   1000 - 3000 K
Rate expression:   9.51x1015 [s-1] (T/298 K)-1.02 e-383763 [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 variational transition state theory.

View full bibliographic record.


Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
1000 2.50E-5
1100 1.51E-3
1200 4.56E-2
1300 8.09E-1
1400 9.48E0
1500 7.96E1
1600 5.10E2
1700 2.62E3
1800 1.12E4
1900 4.07E4
2000 1.30E5
2100 3.72E5
2200 9.63E5
2300 2.29E6
2400 5.07E6
2500 1.05E7
2600 2.05E7
2700 3.81E7
2800 6.76E7
2900 1.15E8
3000 1.89E8