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Author(s):   Rosas, F.; Maldonado, A.; Lezama, J.; Dominguez, R.M.; Mora, J.R.; Cordova, T.; Chuchani, G.
Title:   Kinetics and Mechanisms of the Unimolecular Elimination of 2, 2-Diethoxypropane and 1,1-Diethoxycyclohexane in the Gas Phase: Experimental and Theoretical Study
Journal:   J. Phys. Chem. A
Volume:   116
Page(s):   846 - 854
Year:   2012
Book Title:   ''
Editor:   ''
Publisher:   ''
Publisher address:   ''
Comments:   ''
Reference type:   Journal article
Squib:   2012ROS/MAL846-854

Reaction:   (CH3)2C(OC2H5)2C2H5OH + (CH3)2CO + C2H4
Reaction order:   1
Temperature:   592 - 631 K
Pressure:  5.07E-2 - 8.00E-2 bar
Rate expression:   1.1x1013 [s-1] e-186600 [±800 J/mole]/RT
Category:  Experiment
Data type:   Absolute value measured directly
Pressure dependence:   Rate constant is pressure independent
Experimental procedure:   Static or low flow - Data taken vs time
Excitation technique:   Thermal
Time resolution:   By end product analysis
Analytical technique:   GC-MS
Comments:   The rate coefficients were calculated from a pressure increase measured manometrically and by the quantitative GC analysis. The errors were estimated to 90% confidence limits from a least-squares procedure. The uncertainty in the preexponential factor is expressed as follows: log(A/s-1) = (13.04 ± 0.07).

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
592 3.81E-4
600 6.26E-4
625 2.80E-3
631 4.03E-3