10967/189 - QDB Compounds

QsarDB Repository

Wang, Y.-n.; Chen, J.; Li, X.; Zhang, S.; Qiao, X. Estimation of Aqueous-Phase Reaction Rate Constants of Hydroxyl Radical with Phenols, Alkanes and Alcohols. QSAR Comb. Sci. 2009, 28, 1309–1316.

55 compounds | Property logkOH: aqueous-phase hydroxyl radical reaction rate constant as logkOH [L/mol.s]

IDNamelogkOHRefDetails
1Phenol9.82[1]View
2o-Dihydroxybenzene10.04[1]View
3m-Dihydroxybenzene10.08[1]View
4p-Dihydroxybenzene9.72[1]View
52-Chlorophenol10.08[1]View
63-Chlorophenol9.86[1]View
74-Chlorophenol9.88[1]View
8o-Cresol10.04[1]View
9p-Cresol10.08[1]View
102-Methoxyphenol10.3[1]View
113-Methoxyphenol10.51[1]View
124-Methoxyphenol10.41[1]View
134-Nitrophenol9.58[1]View
144-tert-Butylphenol10.28[1]View
152,6-Dimethylphenol10.41[1]View
162,3-Dimethylphenol10.3[1]View
173,5-Dimethylphenol10.3[1]View
18Methane8.08[1]View
19Ethane9.26[1,2]View
20Propane9.56[1,3]View
21Isobutane9.66[1]View
22n-Butane9.66[1,3]View
232-Methylbutane9.72[1]View
24Pentane9.73[1]View
252,2,4-Trimethylpentane9.79[1]View
26Hexane9.82[1]View
27Heptane9.89[1]View
28Octane9.96[1]View
29Methylcyclopentane9.85[1]View
30Methylcyclohexane9.85[1]View
31Cyclopentane9.57[1]View
32Cyclohexane9.79[1]View
33Cycloheptane9.89[1]View
34Methanol8.99[1,4,5,6,7]View
35Ethanol9.28[1,4,5,7,8,9,10]View
361-Propanol9.45[1,8,9]View
372-Propanol9.28[1,4,5,8]View
382-Methyl-1-propanol9.52[1]View
392-Methyl-2-propanol8.77[1,10,5,8,9]View
403-Methyl-1-butanol9.58[1]View
411-Butanol9.62[1,8]View
422-Butanol9.49[1]View
431-Pentanol9.59[1]View
443-Pentanol9.32[1]View
45Hexyl alcohol9.85[1]View
461-Heptanol9.87[1]View
471-Octanol9.89[1]View
48Ethylene Glycol9.26[1]View
491,2-Propanediol9.23[1]View
501,3-Propanediol9.4[1]View
511,3-Butanediol9.34[1]View
521,4-Butanediol9.51[1]View
532,3-Butanediol9.11[1]View
541,5-Pentanediol9.56[1]View
551,6-Hexanediol9.67[1]View

Bibliography

  1. Buxton, G. V.; Greenstock, C. L.; Helman, W. P.; Ross, A. B. Critical Review of rate constants for reactions of hydrated electrons, hydrogen atoms and hydroxyl radicals (⋅OH/⋅O− in Aqueous Solution. Journal of Physical and Chemical Reference Data 1988, 17, 513–886. https://doi.org/10.1063/1.555805

  2. Getoff, N. Advancements of radiation induced degradation of pollutants in drinking and waste water. International Journal of Radiation Applications and Instrumentation. Part A. Applied Radiation and Isotopes 1989, 40, 585–594. https://doi.org/10.1016/0883-2889(89)90114-7

  3. Getoff, N. Radiation- and photoinduced degradation of pollutants in water. A comparative study. International Journal of Radiation Applications and Instrumentation. Part C. Radiation Physics and Chemistry 1991, 37, 673–680. https://doi.org/10.1016/1359-0197(91)90166-y

  4. MOTOHASHI, N.; SAITO, Y. Competitive Measurement of Rate Constants for Hydroxyl Radical Reactions Using Radiolytic Hydroxylation of Benzoate. CHEMICAL & PHARMACEUTICAL BULLETIN 1993, 41, 1842–1845. https://doi.org/10.1248/cpb.41.1842

  5. Alam, M. S.; Rao, B. S. M.; Janata, E. OH reactions with aliphatic alcohols: evaluation of kinetics by direct optical absorption measurement. A pulse radiolysis study. Radiation Physics and Chemistry 2003, 67, 723–728. https://doi.org/10.1016/s0969-806x(03)00310-4

  6. Elliot, A. J.; McCracken, D. R. Effect of temperature on O⊘ reactions and equilibria: A pulse radiolysis study. International Journal of Radiation Applications and Instrumentation. Part C. Radiation Physics and Chemistry 1989, 33, 69–74. https://doi.org/10.1016/1359-0197(89)90096-9

  7. George, C.; Rousse, D.; Perraudin, E.; Strekowski, R. A new approach for studying aqueous phase OH kinetics: application of Teflon waveguides. Physical Chemistry Chemical Physics 2003, 5, 1562–1569. https://doi.org/10.1039/b301145n

  8. MONOD, A.; POULAIN, L.; GRUBERT, S.; VOISIN, D.; WORTHAM, H. Kinetics of OH-initiated oxidation of oxygenated organic compounds in the aqueous phase: new rate constants, structure–activity relationships and atmospheric implications. Atmospheric Environment 2005, 39, 7667–7688. https://doi.org/10.1016/j.atmosenv.2005.03.019

  9. Ervens, B. A modeling study of aqueous production of dicarboxylic acids: 1. Chemical pathways and speciated organic mass production. Journal of Geophysical Research 2004, 109, https://doi.org/10.1029/2003jd004387

  10. Park, H.-R.; Getoff, N. Radiolysis of Aqueous Ethanol in the Presence of CO. Zeitschrift für Naturforschung A 1992, 47, https://doi.org/10.1515/zna-1992-0909