NIST Chemical Kinetics Database

Author(s):   Rosado-Reyes, C.; Tsang, W.
Title:   Bond Cleavage During Isobutanol Thermal Decomposition and the Breaking of C-C Bonds in Alcohols at High Temperatures
Journal:   J. Phys. Chem. A
Volume:   117
Page(s):   10170 - 10177
Year:   2013
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2013ROS/TSA10170-10177

Reaction:   C₂H₅OH → ·CH₃ + (·)CH₂OH
Reaction order:   1
Temperature:   1090 - 1240 K
Pressure:  1.58 - 6.08 bar
Rate expression:   2.6x10¹⁶ [s^-1] e^{-361646 [±6236 J/mole]/RT}
Category: Theory
Data type:   Estimated: thermochemical, kinetic, or other
Pressure dependence:   None reported
Comments:   A procedure is presented that uses information on the kinetics of bond breaking reactions of alkanes and the effect of OH substitution to derive rate coefficients for similar reactions of alcohols. The uncertainty in the preexponential factor is expressed as follows: A = 10^{16.42 ± 0.30 s^-1.}

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Rate constant values calculated from the Arrhenius expression:

T (K)	k(T) [s^-1]
1090	1.22E-1
1100	1.75E-1
1125	4.21E-1
1150	9.75E-1
1175	2.18E0
1200	4.71E0
1225	9.87E0
1240	1.52E1