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Gas‐phase pyrolytic reactions. Part 6. [1] Behavior of ethyl (hetero)arylcarboxylate esters in thermal elimination reactions
Author(s) -
AlAwadi Nouria A.,
ElDusouqui Osman M. E.,
Mathew Tommy
Publication year - 1997
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/(sici)1097-4601(1997)29:4<289::aid-kin7>3.0.co;2-q
Subject(s) - chemistry , substituent , arrhenius equation , isopropyl , pyrolytic carbon , gas phase , medicinal chemistry , ethyl benzoate , reaction rate constant , elimination reaction , activation energy , organic chemistry , computational chemistry , kinetics , pyrolysis , catalysis , physics , quantum mechanics
Rates, Arrhenius parameters, and Hammett substituent constants are obtained for the gas‐phase thermal elimination of ethyl benzoate (1) and ethyl 2—thienyl— (2), 3—thienyl— (3), 2—furyl— (4), 3—furyl— (5), 4—pyridyl— (6), 3—pyridyl— (7), and 2—pyridylcarboxylate (8) esters. The log A/s −1 and the E a /kJ mol −1 values of these esters averaged 13.60 and 216.3, respectively. The present results are compared with data previously reported for the corresponding isopropyl and t ‐butyl analogues, and the findings are rationalized in terms of a plausible transition state for the elimination pathway. © 1997 John Wiley & Sons, Inc. Int J Chem Kinet 29: 289–293, 1997.