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Accessibility information
Author(s):   DeMore, W.B.
Title:   Regularities in Arrhenius parameters for rate constants of abstraction reactions of hydroxyl radical with C-H bonds
Journal:   J. Photochem. Photobiol. A Chem.
Volume:   176
Page(s):   129 - 135
Year:   2005
Reference type:   Journal article
Squib:   2005DEM129-135

Reaction:   CH3CN + ·OH → Products
Reaction order:   2
Reference reaction:   CH4 + ·OH·CH3 + H2O
Temperature:   306 - 393 K
Rate expression:   1.85x10-12 [±3.3x10-13 cm3/molecule s] e-11449 [±515 J/mole]/RT
Category:  Experiment
Data type:   Relative value normalized by a reference value
Pressure dependence:   None reported
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Direct photolysis
Time resolution:   In real time
Analytical technique:   Fourier transform (FTIR)
Comments:   No details of the experimental setup and conditions are given. The reader is referred to an earlier publication for relevant information. Rate constant units are erroneously reported as cm3 mol-1 s-1 in the data table (Table 5). The correct units are cm3 molecule-1 s-1. Error limits are standard deviations of the fit. A predictive correlation is derived between the values of room-temperature rate constants of H abstraction by OH and the corresponding activation energies and preexponential factors.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
306 2.06E-14
325 2.67E-14
350 3.62E-14
375 4.70E-14
393 5.57E-14