The hydroxyl radical reaction rate constant and products of cyclohexanol

Citation
Wr. Bradley et al., The hydroxyl radical reaction rate constant and products of cyclohexanol, INT J CH K, 33(2), 2001, pp. 108-117
Citations number
24
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
ISSN journal
05388066 → ACNP
Volume
33
Issue
2
Year of publication
2001
Pages
108 - 117
Database
ISI
SICI code
0538-8066(200102)33:2<108:THRRRC>2.0.ZU;2-N
Abstract
The gas phase reaction of the hydroxyl radical (OH) with cyclohexanol (COL) has been studied. The rate coefficient was determined to be (19.0 +/- 4.8) X 10(-12) cm(3) molecule(-1) s(-1) (at 297 +/- 3 K and 1 atmosphere total pressure) using the relative rate technique with pentanal, decane, and trid ecane as the reference compounds. Assuming an average OH concentration of 1 x 10(6) molecules cm(-3), an atmospheric lifetime of 15 h is calculated fo r cyclohexanol. Products of the OH + COL reaction were determined to more c learly define COL's atmospheric degradation mechanism. The observed product s and their Formation yields were: cyclohexanone (0.55 +/- 0.06), hexanedia l (0.32 +/- 0.15), 3-hydroxycyclohexanone (0.31 +/- 0.14), and 4-hydroxycyc lohexanone (0.08 +/- 0.04). Consideration of the potential reaction pathway s suggests that each of these products is formed via hydrogen abstraction a t a different site on the COL ring. The products and their relative amounts are discussed in light of the predicted yields For each reaction channel. (C) 2001 lohn Wiley C Sons, Inc.