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Author(s):   Rosas, F.; Lezama, J.; Mora, J.R.; Maldonado, A.; Cordova, T.; Chuchani, G.
Title:   Kinetics and Mechanisms of the Thermal Decomposition of 2-Methyl-1,3-dioxolane, 2,2-Dimethyl-1,3-dioxolane, and Cyclopentanone Ethylene Ketal in the Gas Phase. Combined Experimental and DFT Study
Journal:   J. Phys. Chem. A
Volume:   116
Page(s):   9228 - 9237
Year:   2012
Reference type:   Journal article
Squib:   2012ROS/LEZ9228-9237

Reaction:   Cyclopentanone ethylene ketal → CH3CHO + Cyclopentanone
Reaction order:   1
Temperature:   733 - 754 K
Pressure:  7.33E-2 - 0.12 bar
Rate expression:   3.02x1013 [s-1] e-238000 [±1600 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:   In real time
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) = (13.48 ± 0.11). An erroneous Arrhenius expression is given in the abstract.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [s-1]
733 3.34E-4
750 8.03E-4
754 9.61E-4