Estimation of hydroxyl radical reaction rate constants for gas-phase organic compounds using a structure-reactivity relationship: An update

Atkinson, 1986, Kinetics and mechanisms of the gasphase reactions of the hydroxyl radical with organic compounds under atmospheric conditions, Chem. Rev., 86, 69, 10.1021/cr00071a004 Atkinson, 1987, A structure-activity relationship for the estimation of rate constants for the gas-phase reactions of OH radicals with organic compounds, Int. J. Chem. Kinet., 19, 799, 10.1002/kin.550190903 Atkinson, 1988, Atmospheric transformations of automotive emissions, 99 Atkinson, 1988, Estimation of gas-phase hydroxyl radical rate constants for organic chemicals, Envir. Toxicol. Chem., 7, 435, 10.1002/etc.5620070604 Atkinson, 1989, Kinetics and mechanisms of the gas-phase reactions of the hydroxyl radical with organic compounds, J. phys. chem. Ref. Data, Monograph 1, 1 Atkinson, 1991, Atmospheric lifetimes of dibenzo-pdioxins and dibenzofurans, Sci. Total Envir., 104, 17, 10.1016/0048-9697(91)90005-Y Atkinson, 1994, Gas-phase tropospheric chemistry of organic compounds, J. phys. chem. Ref. Data, Monograph 2, 1 Atkinson, 1992, OH radical reaction rate constants for polycyclic alkanes: effects of ring strain and consequences for estimation methods, Int. J. Chem. Kinet., 24, 983, 10.1002/kin.550241108 Bidleman, 1988, Atmospheric processes, Envir. Sci. Technol., 22, 361, 10.1021/es00169a002 Bidleman, 1990, The long-range transport of organic compounds, Vol. 297, 259 Biermann, 1985, Kinetics of the gas-phase reactions of the hydroxyl radical with naphthalene, phenanthrene, and anthracene, Envir. Sci. Technol., 19, 244, 10.1021/es00133a004 Cohen, 1987, Transition-state-theory calculations for reactions of OH with haloalkanes, J. phys. Chem., 91, 162, 10.1021/j100285a036 Cohen, 1987, Empirical correlations for rate coefficients for reactions of OH with haloalkanes, J. phys. Chem., 91, 171, 10.1021/j100285a037 Cooper, 1990, Reactions of hydrofluorocarbons and hydrochlorofluorocarbons with the hydroxyl radical, Atmospheric Environment, 24A, 2417, 10.1016/0960-1686(90)90334-J Dagaut, 1989, The gas phase reactivity of aliphatic polyethers towards OH radicals: measurements and predictions, Int. J. Chem. Kinet., 21, 1173, 10.1002/kin.550211210 Dagaut, 1990, Flash photolysis resonance fluorescence investigation of the gas-phase reactions of hydroxyl radicals with cyclic ethers, J. phys. Chem., 94, 1881, 10.1021/j100368a030 Dilling, 1988, Organic photochemistry. 20. A method for estimating gas-phase rate constants for reactions of hydroxyl radicals with organic compounds from their relative rates of reaction with hydrogen peroxide under photolysis in 1,1,2-trichlorotrifluoroethane solution, Envir. Sci. Technol., 22, 1447, 10.1021/es00177a010 Gaffney, 1979, Predicting gas-phase organic molecule reaction rates using linear free-energy correlations. I. O(3P) and OH addition and abstraction reactions, Int. J. Chem. Kinet., 11, 1197, 10.1002/kin.550111106 Goodman, 1988, Kinetics of the atmospherically important gas-phase reactions of a series of trimethyl phosphorothioates, Archs. Envir. Contam. Toxicol., 17, 281, 10.1007/BF01055164 Goodman, 1988, Atmospheric reactions of a series of dimethyl phosphoroamidates and dimethyl phosphorothioamidates, Envir. Sci. Technol., 22, 578, 10.1021/es00170a016 Graedel, 1986 Grosjean, 1992, Environmental persistance of organic compounds estimated from structure-reactivity and linear free-energy relationshipsun—saturated aliphatics, Atmospheric Environment, 26A, 1395, 10.1016/0960-1686(92)90124-4 Güsten, 1986, Eine voraussagemethode zutn abiotischen abbauverhalten von organischen chemikalein in der umwelt, Naturwissen., 73, 129, 10.1007/BF00367401 Güsten, 1981, Prediction of hydroxyl radical reaction rates with organic compounds in the gas phase, Atmospheric Environment, 15, 1763, 10.1016/0004-6981(81)90166-9 Güsten, 1984, Prediction of the abiotic degradability of organic compounds in the troposphere, J. atmos. Chem., 2, 83, 10.1007/BF00127264 Heicklen, 1981, The correlation of rate coefficients for H-atom abstraction by HO radicals with C-H bond dissociation enthalpies, Int. J. Chem. Kinet., 13, 651, 10.1002/kin.550130706 Hodson, 1988, The estimation of the photodegradation of organic compounds by hydroxyl radical reaction rate constants obtained from nuclear magnetic resonance spectroscopy chemical shift data, Chemosphere, 17, 2339, 10.1016/0045-6535(88)90144-0 Hynes, 1991, Kinetics and mechanism of the reaction of hydroxyl radicals with acetonitrile under atmospheric conditions, J. phys. Chem., 95, 1232, 10.1021/j100156a037 Jolly, 1985, Rates of OH radical reactions. XII. The reactions of OH with c-C3H6, c-C5H10, and c-C7H14. Correlation of hydroxyl rate constants with bond dissociation energies, Int. J. Chem. Kinet., 17, 1, 10.1002/kin.550170102 Klamt, 1993, Estimation of gas-phase hydroxyl radical rate constants of organic compounds from molecular orbital calculations, Chemosphere, 26, 1273, 10.1016/0045-6535(93)90181-4 Klöpffer, 1985, Phototransformation of air pollutants: rapid test for the determination of kOH, Z. Naturforsch., 40a, 686, 10.1515/zna-1985-0706 Kwok, 1992, Gas-phase atmospheric chemistry of selected thiocarbamates, Envir. Sci. Technol., 26, 1798, 10.1021/es00033a014 Kwok, 1994, Gas-phase atmospheric chemistry of dibenzo-p-dioxin and dibenzofuran, Envir. Sci. Technol., 28, 528, 10.1021/es00052a028 Kwok, 1994, Reactions of gas-phase phenanthrene under simulated atmospheric conditions, Envir. Sci. Technol., 28, 521, 10.1021/es00052a027 Kwok, 1995, Rate constants for the gas-phase reactions of the OH radical with dichlorobiphenyls, 1-chlorodibenzo-p-dioxin, 1,2-dimethoxybenzene and diphenyl ether: estimation of OH radical reaction rate constants for PCBs, PCDDs and PCDFs, Envir. Sci. Technol., 10.1021/es00006a024 Meylan, 1993, Computer estimation of the atmospheric gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone, Chemosphere, 26, 2293, 10.1016/0045-6535(93)90355-9 Müller, 1991, Estimating atmospheric degradation processes by SARs, Sci. Total Envir., 109/110, 261, 10.1016/0048-9697(91)90183-F Ohta, 1983, Rate constants for the reactions of diolefins with OH radicals in the gas phase. Estimate of the rate constants from those for monoolefins, J. phys. Chem., 87, 1209, 10.1021/j100230a023 Schmoltner, 1993, Rate coefficients for reactions of several hydrofluorocarbons with OH and O(1D) and their atmospheric lifetimes, J. phys. Chem., 97, 8976, 10.1021/j100137a023 Scollard, 1993, Rate constants for the reactions of hydroxyl radicals and chlorine atoms with halogenated aldehydes, J. phys. Chem., 97, 4683, 10.1021/j100120a021 Walker, 1985, Temperature coefficients for reactions of OH radicals with alkanes between 300 and 1000 K, Int. J. Chem. Kinet., 17, 573, 10.1002/kin.550170603 Wallington, 1988, Rate constants for the gas phase reactions of OH with C, through C7 aliphatic alcohols and ethers: predicted and experimental values, Int. J. Chem. Kinet., 20, 541, 10.1002/kin.550200704 World Meteorological Organization (WMO), 1992, Scientific assessment of ozone depletion: 1991, World Meterological Organization Global Ozone Research and Monitoring Project—Report No. 25 Zetzsch, 1982 Zhang, 1992, Rate constants for the reactions of the hydroxyl radical with several partially fluorinated ethers, J. phys. Chem., 96, 9301, 10.1021/j100202a045