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Kinetic studies of OH reactions with Iso ‐propyl, Iso ‐butyl, Sec ‐butyl, and Tert ‐butyl acetate
Author(s) -
Le Calveacute Stéphane,
Le Bras Georges,
Mellouki Abdelwahid
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)29:9<683::aid-kin5>3.0.co;2-q
Subject(s) - chemistry , butyl acetate , arrhenius equation , medicinal chemistry , methyl acetate , ethyl acetate , kinetics , nuclear chemistry , organic chemistry , activation energy , acetic acid , solvent , physics , quantum mechanics
Abstract The temperature dependence of the rate coefficients for the OH radical reactions with iso ‐propyl acetate ( k 1 ), iso ‐butyl acetate ( k 2 ), sec ‐butyl acetate ( k 3 ), and tert ‐butyl acetate ( k 4 ) have been determined over the temperature range 253–372 K. The Arrhenius expressions obtained are: k 1 =(0.30±0.03)×10 −12 exp[(770±52)/ T ]; k 2 =(109±0.14)×10 −12 exp[(534±79)/ T ]; k 3 =(0.73±0.08)×10 −12 exp[(640±62)/ T ]; and k 4 =(22.2±0.34)×10 −12 exp[−(395±92)/ T ] (in units of cm 3 molecule −1 s −1 ). At room temperature, the rate constants obtained (in units of 10 −12 cm 3 molecule −1 s −1 ) were as follows: iso ‐propyl acetate (3.77±0.29); iso ‐butyl acetate (6.33±0.52); sec ‐butyl acetate (6.04±0.58); and tert ‐butyl acetate (0.56±0.05). Our results are compared with the previous determinations and discussed in terms of structure‐activity relationships. © 1997 John Wiley & Sons, Inc. Int J Chem Kinet: 29: 683–688, 1997.