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Author(s):   Sarathy, S.M.; Vranckx, S.; Yasunaga, K.; Mehl, M.; Osswald, P.; Metcalfe, W.K.; Westbrook, C.K.; Pitz, W.J.; Kohse-Hoinghaus, K.; Fernandes, R.X.; Curran, H.J.
Title:   A comprehensive chemical kinetic combustion model for the four butanol isomers
Journal:   Combust. Flame
Volume:   159
Page(s):   2028 - 2055
Year:   2012
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2012SAR/VRA2028-2055

Reaction:   iso-C4H9OH + ·OHH2O + (CH3)2CHCH2
Reaction order:   2
Temperature:   300 - 1700 K
Rate expression:   8.48x10-14 [cm3/molecule s] (T/298 K)2.89 e9753 [J/mole]/RT
Category:  Theory
Data type:   Estimated: thermochemical, kinetic, or other
Pressure dependence:   Rate constant is pressure independent
Comments:   Estimated based on literature review.

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
300 4.31E-12
400 3.73E-12
500 3.95E-12
600 4.53E-12
700 5.34E-12
800 6.37E-12
900 7.61E-12
1000 9.06E-12
1100 1.07E-11
1200 1.26E-11
1300 1.48E-11
1400 1.71E-11
1500 1.98E-11
1600 2.27E-11
1700 2.59E-11