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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
Book Title: ''
Editor: ''
Publisher: ''
Publisher address: ''
Comments: ''
Reference type: Journal article
Squib: 2012ROS/LEZ9228-9237
Reaction:
1,3-Dioxolane, 2,2-dimethyl- → Acetone + CH3CHO
Reaction order:
1
Temperature:
743 - 763
K
Pressure: 6.80E-2 - 0.11 bar
Rate expression:
1.45x1014 [s-1] e-253700 [±2000 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) = (14.16 ± 0.14).
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Rate constant values calculated from the Arrhenius expression:
| T (K) | k(T) [s-1] |
|---|---|
| 743 | 2.16E-4 |
| 750 | 3.11E-4 |
| 763 | 6.27E-4 |