Rate constant for the reaction of CH3C(O)CH2 radical with HBr and its thermochemical implication

Edit Farkas, Gergely Kovács, István Szilágyi, Sándor Dóbé, Tibor Bérces, Ferenc Márta

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Abstract

The fast flow method with laser induced fluorescence detection of CH 3C(O)CH2 was employed to obtain the rate constant of k1 (298 K) = (1.83 ± 0.12 (1σ)) × 1010 cm3 mol-1 s-1 for the reaction CH 3C(O)CH2 + HBr ↔ CH3C(O)CH3 + Br (1, -1). The observed reduced reactivity compared with n-alkyl or alkoxyl radicals can be attributed to the partial resonance stabilization of the acetonyl radical. An application of k1 in a third law estimation provides Δf H298O (CH 3C(O)CH2) values of -24 kJ mol-1 and -28 kJ mol-1 depending on the rate constants available for reaction (- 1) from the literature.

Original languageEnglish
Pages (from-to)32-37
Number of pages6
JournalInternational Journal of Chemical Kinetics
Volume38
Issue number1
DOIs
Publication statusPublished - Jan 1 2006

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ASJC Scopus subject areas

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

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