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2–Butoxyethanol and benzyl alcohol reactions with the nitrate radical: Rate coefficients and gas-phase products

Authors

  • Joel C. Harrison,

    1. Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, Morgantown, WV 26505
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  • J. R. Wells

    Corresponding author
    1. Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, Morgantown, WV 26505
    • Exposure Assessment Branch, Health Effects Laboratory Division, National Institute for Occupational Safety and Health, Morgantown, WV 26505
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Abstract

The bimolecular rate coefficients kmath image and kmath image were measured using the relative rate technique at (297 ± 3) K and 1 atmosphere total pressure. Values of (2.7 ± 0.7) and (4.0 ± 1.0) × 10−15 cm3 molecule−1 s−1 were observed for kmath image and kmath image, respectively. In addition, the products of 2-butoxyethanol + NO3 and benzyl alcohol + NO3 gas-phase reactions were investigated. Derivatizing agents O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine and N, O-bis (trimethylsilyl)trifluoroacetamide and gas chromatography mass spectrometry (GC/MS) were used to identify the reaction products. For 2-butoxyethanol + NO3 reaction: hydroxyacetaldehyde, 3-hydroxypropanal, 4-hydroxybutanal, butoxyacetaldehyde, and 4-(2-oxoethoxy)butan-2-yl nitrate were the derivatized products observed. For the benzyl alcohol + NO3 reaction: benzaldehyde ((C6H5)C([DOUBLE BOND]O)H) was the only derivatized product observed. Negative chemical ionization was used to identify the following nitrate products: [(2-butoxyethoxy)(oxido)amino]oxidanide and benzyl nitrate, for 2-butoxyethanol + NO3 and benzyl alcohol + NO3, respectively. The elucidation of these products was facilitated by mass spectrometry of the derivatized reaction products coupled with a plausible 2-butoxyethanol or benzyl alcohol + NO3 reaction mechanisms based on previously published volatile organic compound + NO3 gas-phase mechanisms. © 2012 Wiley Periodicals, Inc.* © 2012 Wiley Periodicals, Inc. Int J Chem Kinet 44: 778–788, 2012

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