Abstract
For compounds with a single type of C H bond, it is shown that the Arrhenius parameters E/ R and the A-factor for OH abstraction reactions can be reliably predicted from k(298 K), based on relationships derived from selected literature data. The principal criterion for selection is that the data shall have been verified by both absolute and relative rate measurements. Predictions are compared to tabulated data in recent NASA data evaluations, showing for the most part good agreement. In two of the cases where discrepancies exist, the OH reactions with CH 3CN and CF 3CH 2Cl (HCFC-133a), new relative rate data are presented which show improved agreement with predictions.
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More From: Journal of Photochemistry & Photobiology, A: Chemistry
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