table.ref.Rd
Imports the Reference table from the database.
table.ref(query = NA, ver = "upd")
query | Group name, either a single input or a list. Default is NA. |
---|---|
ver | Version of the database. Default is upd, for the latest version. |
A data frame containing KOA data included the database.
table.ref()#> id Citation Year Type #> 1 ref0001 Harner and Mackay 1995 1995 Journal Article #> 2 ref0002 Harner and Bidleman 1996 1996 Journal Article #> 3 ref0003 Finizio et al. 1997 1997 Journal Article #> 4 ref0004 Kömp and McLachlan 1997 1997 Journal Article #> 5 ref0005 Gruber et al. 1997 1997 Journal Article #> 6 ref0006 Hiatt 1997 1997 Journal Article #> 7 ref0007 Shoeib and Harner 2002 2002 Journal Article #> 8 ref0008 Harner and Bidleman 1998 1998 Journal Article #> 9 ref0009 Zhang et al. 1999 1999 Journal Article #> 10 ref0010 Harner et al. 2000 2000 Journal Article #> 11 ref0011 Chen et al. 2001 2001 Journal Article #> 12 ref0012 Ferreira 2001 2001 Journal Article #> 13 ref0013 Abraham et al. 2001 2001 Journal Article #> 14 ref0014 Treves et al. 2001 2001 Journal Article #> 15 ref0015 Chen et al. 2002a 2002 Journal Article #> 16 ref0016 Chen et al. 2002b 2002 Journal Article #> 17 ref0017 Harner and Shoeib 2002 2002 Journal Article #> 18 ref0018 Su et al. 2002 2002 Journal Article #> 19 ref0019 Wania et al. 2002 2002 Journal Article #> 20 ref0020 Chen et al. 2003b 2003 Journal Article #> 21 ref0021 Chen et al. 2003c 2003 Journal Article #> 22 ref0022 Lei et al. 2004 2004 Journal Article #> 23 ref0023 Batterman 2002 2002 Journal Article #> 24 ref0024 Shoeib et al. 2004 2004 Journal Article #> 25 ref0025 Parnis et al. 2015 2015 Journal Article #> 26 ref0026 Meylan and Howard 2005 2005 Journal Article #> 27 ref0027 Puzyn and Falandysz 2005 2005 Journal Article #> 28 ref0028 Zhao et al. 2005 2005 Journal Article #> 29 ref0029 Li et al. 2006a 2006 Journal Article #> 30 ref0030 Goss et al. 2006 2006 Journal Article #> 31 ref0031 Odabasi et al. 2006a 2006 Journal Article #> 32 ref0032 Odabasi et al. 2006b 2006 Journal Article #> 33 ref0033 Raevsky et al. 2006 2006 Journal Article #> 34 ref0034 Xu et al. 2007 2007 Journal Article #> 35 ref0035 Papa et a. 2009 2009 Journal Article #> 36 ref0036 Sepassi and Yalkowsky 2007 2007 Journal Article #> 37 ref0037 Wang et al. 2008 2008 Journal Article #> 38 ref0038 Thuens et al. 2008 2008 Journal Article #> 39 ref0039 Fu et al. 2016 2016 Journal Article #> 40 ref0040 Taheri et al. 1991 1991 Journal Article #> 41 ref0041 Dreyer et al. 2009 2009 Journal Article #> 42 ref0042 Hongxia et al. 2009 2009 Journal Article #> 43 ref0043 Zhang et al. 2009 2009 Journal Article #> 44 ref0044 Ha and Kwon 2010 2010 Journal Article #> 45 ref0045 Zhao et al. 2010 2010 Journal Article #> 46 ref0046 Odabasi and Cetin 2012 2012 Journal Article #> 47 ref0047 Xu and Kropscott 2012 2012 Journal Article #> 48 ref0048 Liu et al. 2013 2013 Journal Article #> 49 ref0049 Zeng et al. 2013 2013 Journal Article #> 50 ref0050 Xu and Kropscott 2013 2013 Journal Article #> 51 ref0051 Jiao et al. 2014 2014 Journal Article #> 52 ref0052 Xu and Kropscott 2014 2014 Journal Article #> 53 ref0053 Pegoraro et al. 2015 2015 Journal Article #> 54 ref0054 Chen et al. 2016 2016 Journal Article #> 55 ref0055 Yuan et al. 2016 2016 Journal Article #> 56 ref0056 Lee and Kwon 2016 2016 Journal Article #> 57 ref0057 Shoeib and Harner 2002b 2002 Journal Article #> 58 ref0058 Wang et al. 2017 2017 Journal Article #> 59 ref0059 Jin et al. 2017 2017 Journal Article #> 60 ref0060 Lei et al. 2019 2019 Journal Article #> 61 ref0061 Chen et al. 2003a 2003 Journal Article #> 62 ref0062 Unpublished data from Tom Harner 2018 Unpublished Data #> 63 ref0063 Fang et al. 1997 1997 Journal Article #> 64 ref0064 Tse and Sandler 1994 1994 Journal Article #> 65 ref0065 Berti et al. 1986 1986 Journal Article #> 66 ref0066 Cabani et al. 1991 1991 Journal Article #> 67 ref0067 Thomas et al. 1982 1982 Journal Article #> 68 ref0068 Tewari et al. 1982 1982 Journal Article #> 69 ref0069 Bo et al. 1993 1993 Journal Article #> 70 ref0070 Boyer and Bircher 1960 1960 Journal Article #> 71 ref0071 Wilcock et al. 1978 1978 Journal Article #> 72 ref0072 Bhatia and Sandler 1995 1995 Journal Article #> 73 ref0073 Raines et al. 2004 2004 Journal Article #> 74 ref0074 Hussam and Carr 1985 1985 Journal Article #> 75 ref0075 Rohrschneider 1973 1973 Journal Article #> 76 ref0076 Park et al. 1987 1987 Journal Article #> 77 ref0077 Dallas 1995 1995 Dissertation #> 78 ref0078 Nedyalkova et al. 2019 2019 Journal Article #> 79 ref0079 Abraham and Nasehzadeh 1981 1981 Journal Article #> 80 ref0080 Dallas and Carr 1992 1992 Journal Article #> 81 ref0081 Fukuchi et al. 1999 1999 Journal Article #> 82 ref0082 Fukuchi et al. 2001 2001 Journal Article #> 83 ref0083 Castells et al. 2000 2000 Journal Article #> 84 ref0084 Gmehling and Menke 2007 2007 Book/Database #> 85 ref0085 Castells et al. 1999 1999 Journal Article #> 86 ref0086 Abraham 1982 1982 Journal Article #> 87 ref0087 Hiatt 1998 1998 Journal Article #> 88 ref0088 Gerrard 1973 1973 Journal Article #> 89 ref0089 Hernandez et al. 1999 1999 Journal Article #> 90 ref0090 Gerrard 1972 1972 Journal Article #> 91 ref0091 Martin et al. 1984 1984 Journal Article #> 92 ref0092 Pollack et al. 1984 1984 Journal Article #> 93 ref0093 Thomas and Eckert 1984 1984 Journal Article #> 94 ref0094 Acree et al. 1994 1994 Journal Article #> 95 ref0095 Beerbower et al. 1984 1984 Journal Article #> 96 ref0096 De Fina et al. 2000 2000 Journal Article #> 97 ref0097 Dohnal and Vrkba 1997 1997 Journal Article #> 98 ref0098 Miller et al. 1985 1985 Journal Article #> 99 ref0099 Pinsuwan et al. 1995 1995 Journal Article #> 100 ref0100 Eikens 1993 1993 Dissertation #> 101 ref0101 Gardner et al. 1971 1971 Journal Article #> 102 ref0102 Ellgehausen et al. 1981 1981 Journal Article #> 103 ref0103 Yalkowsky et al. 1983 1983 Journal Article #> 104 ref0104 Gobas et al. 1988 1988 Journal Article #> 105 ref0105 Fletcher et al. 1997 1997 Journal Article #> 106 ref0106 Powell et al. 1997 1997 Journal Article #> 107 ref0107 Niimi 1991 1991 Journal Article #> 108 ref0108 Ruelle et al. 1994 1994 Journal Article #> 109 ref0109 Granberg and Rasmuson 1999 1999 Journal Article #> 110 ref0110 Chiou et al. 1982 1982 Journal Article #> 111 ref0111 Powell et al. 1994 1994 Journal Article #> 112 ref0112 Ramble 2019 2019 Book/Database #> 113 ref0113 Pierotti et al. 1959 1959 Journal Article #> 114 ref0114 Maaßen 1996 1996 Dissertation #> 115 ref0115 Kohn 1988 1988 Dissertation #> 116 ref0116 Cheong 1989 1989 Dissertation #> 117 ref0117 Ruelle et al. 1994b 1994 Journal Article #> 118 ref0118 Mackay et al. 1980 1980 Journal Article #> 119 ref0119 Anliker and Moser 1987 1987 Journal Article #> 120 ref0120 Ruelle et al. 1992 1992 Journal Article #> 121 ref0121 Yalkowsky et al. 1994 1994 Journal Article #> 122 ref0122 Kurz and Ballchmiter 1999 1999 Journal Article #> 123 ref0123 Li et al. 1995 1995 Journal Article #> 124 ref0124 Sepassi and Yalkowsky 2006 2006 Journal Article #> 125 ref0125 Lian and Yalkowsky 2014 2014 Journal Article #> 126 ref0126 US EPA 2012 2012 Book/Database #> 127 ref0127 Yaws 2012 2012 Book/Database #> 128 ref0128 Okeme et al. 2020 2020 Journal Article #> 129 ref0129 Özcan 2013 2013 Dissertation #> 130 ref0130 Vuong et al. 2020 2020 Journal Article #> 131 ref0131 Taheri et al. 1993 1993 Journal Article #> 132 ref0132 Ionescu et al. 1994 1994 Journal Article #> 133 ref0133 Fang et al. 1996 1996 Journal Article #> 134 ref0134 Fang et al. 1997b 1997 Journal Article #> 135 ref0135 Eger et al. 1997 1997 Journal Article #> 136 ref0136 Best et al. 1997 1997 Journal Article #> 137 ref0137 Eger et al. 1999 1999 Journal Article #> 138 ref0138 Cousins and Mackay 2000 2000 Journal Article #> 139 ref0139 Eger et al. 2001 2001 Journal Article #> 140 ref0140 Oliferenko et al. 2004 2004 Journal Article #> 141 ref0141 Abraham et al. 2005 2005 Journal Article #> 142 ref0142 Yao et al. 2007 2007 Journal Article #> 143 ref0143 Nabi et al. 2014 2014 Journal Article #> 144 ref0144 Leng et al. 2015 2015 Journal Article #> 145 ref0145 Vikas and Chayawan 2015 2015 Journal Article #> 146 ref0146 Kim et al. 2016 2016 Journal Article #> 147 ref0147 Yaman et al. 2020 2020 Journal Article #> 148 ref0148 Giesen et al. 1997 1997 Journal Article #> 149 ref0149 Zhu et al. 1998 1998 Journal Article #> 150 ref0150 Li et al. 1999 1999 Journal Article #> 151 ref0151 Duffy and Jorgensen 2000 2000 Journal Article #> 152 ref0152 Roberts 2005 2005 Journal Article #> 153 ref0153 Zhang et al. 2016 2016 Journal Article #> 154 ref0154 Mathieu 2020 2020 Journal Article #> 155 ref0155 Li et al. 2020 2020 Journal Article #> doi #> 1 10.1021/es00006a025 #> 2 10.1021/je960097y #> 3 10.1016/S1352-2310(97)00013-7 #> 4 10.1002/etc.5620161201 #> 5 10.1021/je9700535 #> 6 10.1021/ac960936j #> 7 10.1021/es020635t #> 8 10.1021/je970175x #> 9 10.1021/ac981103r #> 10 10.1021/es000970m #> 11 10.1007/s00128-001-0073-3 #> 12 10.1016/S0045-6535(00)00275-7 #> 13 10.1016/S0045-6535(00)00288-5 #> 14 10.1016/S1352-2310(01)00276-X #> 15 10.1016/S0048-9697(01)01148-2 #> 16 10.1016/S0045-6535(02)00103-0 #> 17 10.1021/je010192t #> 18 10.1021/je015512n #> 19 10.1021/ac0256033 #> 20 10.1016/S1476-9271(02)00089-0 #> 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10.1002/jctb.5020230102 #> 89 10.1139/v99-149 #> 90 10.1002/jctb.2720220509 #> 91 10.1002/jps.2600730211 #> 92 10.1063/1.448032 #> 93 10.1021/i200025a002 #> 94 10.1016/0378-3812(94)80049-9 #> 95 10.1002/jps.2600730210 #> 96 10.1139/v00-040 #> 97 10.1016/S0378-3812(97)00008-3 #> 98 10.1021/es00136a007 #> 99 10.1021/je00019a019 #> 100 <NA> #> 101 10.1252/jcej.4.92 #> 102 10.1002/ps.2780120216 #> 103 10.1002/jps.2600720808 #> 104 10.1002/jps.2600770317 #> 105 10.1080/00319109708035912 #> 106 10.1007/BF02575347 #> 107 10.1016/0043-1354(91)90182-P #> 108 10.1002/jps.2600830326 #> 109 10.1021/je990124v #> 110 10.1021/es00095a005 #> 111 10.1080/00319109408030257 #> 112 <NA> #> 113 10.1021/ie50589a048 #> 114 <NA> #> 115 <NA> #> 116 <NA> #> 117 10.1016/0378-5173(94)90187-2 #> 118 10.1016/0045-6535(80)90122-8 #> 119 10.1016/0147-6513(87)90041-8 #> 120 10.1016/0378-5173(92)90226-R #> 121 10.1016/0045-6535(94)90425-1 #> 122 10.1016/S0045-6535(98)00212-4 #> 123 10.1021/ie00042a026 #> 124 10.1208/pt070126 #> 125 10.1002/jps.24033 #> 126 <NA> #> 127 <NA> #> 128 10.1021/acs.jced.9b01126 #> 129 <NA> #> 130 10.1016/j.atmosenv.2020.117461 #> 131 <NA> #> 132 <NA> #> 133 <NA> #> 134 <NA> #> 135 <NA> #> 136 10.1021/jp971264j #> 137 10.1213/00000539-199904000-00035 #> 138 10.1016/S0045-6535(00)00005-9 #> 139 10.1097/00000539-200110000-00025 #> 140 10.1021/ci0342932 #> 141 10.1039/b418293f #> 142 10.1021/es061725r #> 143 10.1021/es501674p #> 144 10.1002/2015GL063840 #> 145 10.1016/j.chemosphere.2014.08.072 #> 146 10.1016/j.envpol.2016.02.007 #> 147 10.1021/acs.est.0c02823 #> 148 10.1007/s002140050283 #> 149 10.1063/1.476521 #> 150 10.1007/s002149900004 #> 151 10.1021/ja993663t #> 152 10.1029/2004GL022327 #> 153 10.1016/j.chemosphere.2015.11.017 #> 154 10.1016/j.chemosphere.2019.125584 #> 155 10.1016/j.chemosphere.2019.125246 #> Title #> 1 Measurement of octanol-air partition coefficients for chlorobenzenes, PCBs, and DDT #> 2 Measurements of octanol?air partition coefficients for polychlorinated biphenyls #> 3 Octanol-air partition coefficient as a predictor of partitioning of semi-volatile organic chemicals to aerosols #> 4 Octanol/air partitioning of polychlorinated biphenyls #> 5 Measurement of activity coefficients at infinite dilution using gas?liquid chromatography. 6. Results for systems exhibiting gas?liquid interface adsorption with 1-octanol #> 6 Analyses of fish tissue by vacuum distillation/gas chromatography/mass spectrometry #> 7 Characterization and Comparison of Three Passive Air Samplers for Persistent Organic Pollutants #> 8 Measurement of octanol?air partition coefficients for polycyclic aromatic hydrocarbons and polychlorinated naphthalenes #> 9 A method to estimate the octanol?air partition coefficient of semivolatile organic compounds #> 10 Measurements of octanol?air partition coefficients for PCDD/Fs:? a tool in assessing air?soil equilibrium status #> 11 Quantitative structure–property relationships for octanol-air partition coefficients of PCDD/Fs #> 12 Polycyclic aromatic hydrocarbons: a QSPR study #> 13 The solubility of gases and vapours in dry octan-1-ol at 298 K #> 14 Measurement of octanol–air partition coefficients using solid-phase microextraction (SPME)—application to hydroxy alkyl nitrates #> 15 Quantitative relationships between molecular structures, environmental temperatures and octanol–air partition coefficients of PCDD/Fs #> 16 Quantitative structure–property relationships for octanol–air partition coefficients of polychlorinated biphenyls #> 17 Measurements of octanol?air partition coefficients (KOA) for polybrominated diphenyl ethers (PBDEs):? predicting partitioning in the environment #> 18 Determination of octanol?air partition coefficient (KOA) values for chlorobenzenes and polychlorinated naphthalenes from gas chromatographic retention times #> 19 Estimating octanol?air partition coefficients of nonpolar semivolatile organic compounds from gas chromatographic retention times #> 20 Quantitative relationships between molecular structures, environmental temperatures and octanol–air partition coefficients of polychlorinated biphenyls #> 21 Quantitative structure-property relationships for octanol–air partition coefficients of polychlorinated naphthalenes, chlorobenzenes and p,p?-DDT #> 22 Determination of vapor pressures, octanol?air, and water?air partition coefficients for polyfluorinated sulfonamide, sulfonamidoethanols, and telomer alcohols #> 23 Partition coefficients for the trihalomethanes among blood, urine, water, milk and air #> 24 Indoor and outdoor air concentrations and phase partitioning of perfluoroalkyl sulfonamides and polybrominated diphenyl ethers #> 25 Temperature dependence of Henry's law constants and KOA for simple and heteroatom-substituted PAHs by COSMO-RS #> 26 Estimating octanol-air partition coefficients with octanol-water partition coefficients and Henry's law constants #> 27 Computational estimation of logarithm of n-octanol/air partition coefficient and subcooled vapor pressures of 75 chloronaphthalene congeners #> 28 Prediction of octanol-air partition coefficients of semivolatile organic compounds based on molecular connectivity index #> 29 The fragment constant method for predicting octanol–air partition coefficients of persistent organic pollutants at different temperatures #> 30 The partition behavior of fluorotelomer alcohols and olefins #> 31 Henry’s law constant, octanol–air partition coefficient and supercooled liquid vapor pressure of carbazole as a function of temperature: Application to gas/particle partitioning in the atmosphere #> 32 Determination of octanol–air partition coefficients and supercooled liquid vapor pressures of PAHs as a function of temperature: Application to gas–particle partitioning in an urban atmosphere #> 33 Physicochemical properties/descriptors governing the solubility and partitioning of chemicals in water-solvent-gas systems. Part 1. Partitioning between octanol and air #> 34 QSPR/QSAR models for prediction of the physicochemical properties and biological activity of polybrominated diphenyl ethers #> 35 Development, Validation and Inspection of the Applicability Domain of QSPR Models for Physicochemical Properties of Polybrominated Diphenyl Ethers #> 36 Simplified estimation of the octanol?air partition coefficient #> 37 Prediction of supercooled liquid vapor pressures and n-octanol/air partition coefficients for polybrominated diphenyl ethers by means of molecular descriptors from DFT method #> 38 Determination of the octanol?air partition coefficients (KOA) of fluorotelomer alcohols #> 39 Comparison of prediction methods for octanol-air partition coefficients of diverse organic compounds #> 40 What Solvent Best Represents the Site of Action of Inhaled Anesthetics in Humans, Rats, and Dogs? #> 41 Determination of octanol?air partition coefficients (KOA) of fluorotelomer acrylates, perfluoroalkyl sulfonamids, and perfluoroalkylsulfonamido ethanols #> 42 Octanol–air partition coefficients of polybrominated biphenyls #> 43 Determination of octanol-air partition coefficients and supercooled liquid vapor pressures of organochlorine pesticides #> 44 Determination of 1-octanol-air partition coefficient using gaseous diffusion in the air boundary layer #> 45 Determination and prediction of octanol–air partition coefficients of hydroxylated and methoxylated polybrominated diphenyl ethers #> 46 Determination of octanol–air partition coefficients of organochlorine pesticides (OCPs) as a function of temperature: Application to air–soil exchange #> 47 Method for simultaneous determination of partition coefficients for cyclic volatile methylsiloxanes and dimethylsilanediol #> 48 Improved 3D-QSPR analysis of the predictive octanol–air partition coefficients of hydroxylated and methoxylated polybrominated diphenyl ethers #> 49 QSPR modeling of n-octanol/air partition coefficients and liquid vapor pressures of polychlorinated dibenzo-p-dioxins #> 50 Octanol/air partition coefficients of volatile methylsiloxanes and their temperature dependence #> 51 QSPR study on the octanol/air partition coefficient of polybrominated diphenyl ethers by using molecular distance-edge vector index #> 52 Evaluation of the three-phase equilibrium method for measuring temperature dependence of internally consistent partition coefficients (KOW, KOA, and KAW) for volatile methylsiloxanes and trimethylsilanol #> 53 Measurements of octanol–air partition coefficients, vapor pressures and vaporization enthalpies of the (E) and (Z) isomers of the 2-ethylhexyl 4-methoxycinnamate as parameters of environmental impact assessment #> 54 Prediction of octanol-air partition coefficients for polychlorinated biphenyls (PCBs) using 3D-QSAR models #> 55 QSPR models for predicting generator-column-derived octanol/water and octanol/air partition coefficients of polychlorinated biphenyls #> 56 Evaluation of long-range transport potential of selected brominated flame retardants with measured 1-octanol–air partition coefficients #> 57 Using measured octanol-air partition coefficients to explain environmental partitioning of organochlorine pesticides #> 58 Determination and prediction of octanol-air partition coefficients for organophosphate flame retardants #> 59 Development of polyparameter linear free energy relationship models for octanol–air partition coefficients of diverse chemicals #> 60 Measuring the octan-1-ol air partition coefficient of volatile organic chemicals with the variable phase ratio head space technique. #> 61 Quantitative predictive models for octanol–air partition coefficients of polybrominated diphenyl ethers at different temperatures #> 62 <NA> #> 63 Anesthetic Potencies of n-Alkanols: Results of Additivity and Solubility Studies Suggest a Mechanism of Action Similar to That for Conventional Inhaled Anesthetics #> 64 Infinite dilution activity coefficients and Henry's law coefficients of some priority water pollutants determined by a relative gas chromatographic method #> 65 Thermodynamic study of organic compounds in octan-1-ol. Processes of transfer from gas and from dilute aqueous solution #> 66 Free energy and enthalpy changes for the process of transfer from gas and from dilute aqueous solutions of some alkanes and monofunctional saturated organic compounds #> 67 Limiting activity coefficients of nonpolar and polar solutes in both volatile and nonvolatile solvents by gas chromatography #> 68 Calculation of aqueous solubility of organic compounds #> 69 Solubility of gases in liquids. 19. Solubility of He, Ne, Ar, Kr, Xe, N2, O2, CH4, CF4, and SF6 in normal 1-alkanols n-ClH2l+1OH (1 ? l ? 11) at 298.15 K #> 70 The solubility of nitrogen, argon, methane, ethylene and ethane in normal primary alcohols #> 71 Solubilities of gases in liquids II. The solubilities of He, Ne, Ar, Kr, O2, N2, CO, CO2, CH4, CF4, and SF6 in n-octane 1-octanol, n-decane, and 1-decanol #> 72 Temperature dependence of infinite dilution activity coefficients in octanol and octanol/water partition coefficients of some volatile halogenated organic compounds #> 73 The N-methyl-D-aspartate receptor inhibitory potencies of aromatic inhaled drugs of abuse: evidence for modulation by cation-pi interactions #> 74 Rapid and precise method for the measurement of vapor/liquid equilibria by headspace gas chromatography #> 75 Solvent characterization by gas-liquid partition coefficients of selected solutes #> 76 Experimental reexamination of selected partition coefficients from Rohrschneider's data set #> 77 Fundamental solvatochromic and thermodynamic studies of complex chromatographic media #> 78 Calculating the partition coefficients of organic solvents in octanol/water and octanol/air #> 79 Thermodynamics of solution of gaseous tetramethyltin in 36 solvents. Comparison of experimental results with cavity-theory calculations #> 80 A thermodynamic and solvatochromic investigation of the effect of water on the phase-transfer properties of octan-1-ol #> 81 Measurement and correlation of infinite dilution activity coefficients of ethers in alkanols #> 82 Measurement and correlation of infinite dilution activity coefficients of bis(2,2,2-trifluoroethyl)ether in dodecane or alkanol #> 83 Headspace gas chromatographic measurements of limiting activity coefficients of eleven alkanes in organic solvents at 25 °c. 1 #> 84 Activity coefficients at infinite dilution. Pt. 5: C1 - C16 #> 85 Comparative study of semitheoretical models for predicting infinite dilution activity coefficients of alkanes in organic solvents #> 86 Free energies, enthalpies, and entropies of solution of gaseous nonpolar nonelectrolytes in water and nonaqueous solvents. The hydrophobic effect #> 87 Bioconcentration Factors for Volatile Organic Compounds in Vegetation #> 88 Significance of the solubility of hydrocarbon gases in liquids in relation to the intermolecular structure of liquids and the essential pattern of data for all gases #> 89 Solubility of phenanthrene in organic nonelectrolyte solvents. Comparison of observed versus predicted values based upon mobile order theory #> 90 Solubility of hydrogen sulphide, dimethyl ether, methyl chloride and sulphur dioxide in liquids. The prediction of solubility of all gases #> 91 Expanded solubility parameter approach ii: p-hydroxybenzoic acid and methyl p-hydroxybenzoate in individual solvents #> 92 Solubility of xenon in liquid n?alkanols: Thermodynamic functions in simple polar liquids #> 93 Prediction of limiting activity coefficients by a modified separation of cohesive energy density model and UNIFAC #> 94 Thermochemical investigations of hydrogen-bonded solutions: development of a predictive equation for the solubility of anthracene in binary hydrocarbon #> 95 Expanded solubility parameter approach i: naphthalene and benzoic acid in individual solvents #> 96 Solubility of hexachlorobenzene in organic nonelectrolyte solvents. Comparison of observed vs. predicted values based upon Mobile Order model #> 97 Limiting activity coefficients in the 1-alkanol + n-alkane systems: survey, critical evaluation and recommended values, interpretation in terms of association models #> 98 Relationships between octanol-water partition coefficient and aqueous solubility #> 99 Correlation of octanol/water solubility ratios and partition coefficients #> 100 Applicability of theoretical and semi-empirical models for predicting infinite dilution activity coefficients. #> 101 Diffusion of carbon dioxide into primary alcohols and methyl cellulose ether solutions #> 102 Reversed-phase chromatography as a general method for determining octan-1-ol/water partition coefficients #> 103 Solubility and partitioning VI: Octanol solubility and octanol–water partition coefficients #> 104 A novel method for measuring membrane-water partition coefficients of hydrophobic organic chemicals: Comparison with 1-octanol–water partitioning #> 105 Solubility of thianthrene in organic nonelectrolyte solvents: Comparison of observed versus predicted values based upon mobile order theory #> 106 Prediction of anthracene solubilities in binary alcohol+alcohol solvent mixtures using alcohol-specific mobile order theory stability constants #> 107 Solubility of organic chemicals in octanol, triolein and cod liver oil and relationships between solubility and partition coefficients #> 108 Hydrophobic effect at the origin of the low solubility of inert solid substances in hydrogen-bonded solvents #> 109 Solubility of paracetamol in pure solvents #> 110 Partitioning of organic compounds in octanol-water systems #> 111 Solubility of pyrene in organic nonelectrolyte solvents. comparison of observed versus predicted values based upon mobile order theory #> 112 CRC Handbook of Chemistry and Physics, 100th Edition (Internet Version 2019) #> 113 Activity coefficients and molecular structure #> 114 Experimentelle bestimmung und korrelierung von verteilungskoeffizienten in verdünnten lösungen #> 115 Messung und vorausberechnung von octanol-wasser-verteilungskoeffizienten #> 116 Measurements of limiting activity coefficients of homologous series of solutes and their application to the study of retention mechanism in reversed phase liquid chromatography #> 117 Prediction of carbazole solubility and its dependence upon the solvent nature #> 118 Relationships between aqueous solubility and octanol-water partition coefficients #> 119 The limits of bioaccumulation of organic pigments in fish: Their relation to the partition coefficient and the solubility in water and octanol #> 120 Comparison of the solubility of polycyclic aromatic hydrocarbons in non-associated and associated solvents: The hydrophobic effect #> 121 Upper II: Calculation of physical properties of the chlorobenzenes #> 122 Vapour pressures, aqueous solubilities, Henry's law constants, partition coefficients between gas/water (Kgw), N-octanol/water (Kow) and gas/N-octanol (Kgo) of 106 polychlorinated diphenyl ethers (PCDE) #> 123 Estimation of Solubility of Organic Compounds in 1-Octanol #> 124 Solubility prediction in octanol: A technical note #> 125 Unified Physicochemical Property Estimation Relationships (UPPER) #> 126 PhysProp Database from Estimation Programs Interface Suite\231 v4.1 with 2017 file edit #> 127 Yaws' Critical Property Data for Chemical Engineers and Chemists #> 128 Gas Chromatographic Estimation of Vapor Pressures and Octanol–Air Partition Coefficients of Semivolatile Organic Compounds of Emerging Concern #> 129 Determination of gas-particle partitioning parameters and indoor air concentrations of synthetic musk compounds #> 130 Determining sub-cooled liquid vapor pressures and octanol-air partition coefficients for chlorinated and brominated polycyclic aromatic hydrocarbons based on gas chromatographic retention times: Application for gas/particle partitioning in air #> 131 Anesthesia by n-Alkanes Not Consistent with the Meyer-Overton Hypothesis: Determinations of the Solubilities of Alkanes in Saline and Various Lipids #> 132 Direct Determination of Oil/Saline Partition Coefficients #> 133 Anesthetic and Convulsant Properties of Aromatic Compounds and Cycloalkanes: Implications for Mechanisms of Narcosis #> 134 Convulsant Activity of Nonanesthetic Gas Combinations #> 135 Minimum Alveolar Anesthetic Concentration Values for the Enantiomers of Isoflurane Differ Minimally #> 136 GB/SA-Based Continuum Solvation Model for Octanol #> 137 Minimum Alveolar Anesthetic Concentration of Fluorinated Alkanols in Rats: Relevance to Theories of Narcosis #> 138 Correlating the physical–chemical properties of phthalate esters using the `three solubility' approach #> 139 The Convulsant and Anesthetic Properties of Cis-Trans Isomers of 1,2-Dichlorohexafluorocyclobutane and 1,2-Dichloroethylene #> 140 Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application in QSAR/QSPR Studies and Drug Design. Partitioning of Aliphatic Compounds #> 141 The estimation of physicochemical properties of methyl and other alkyl naphthalenes #> 142 Sources and Occurrence of Dacthal in the Canadian Atmosphere #> 143 Mapping Environmental Partitioning Properties of Nonpolar Complex Mixtures by Use of GC × GC #> 144 Effects of temperature, pH, and ionic strength on the Henry's law constant of triethylamine #> 145 Single-descriptor based quantum-chemical QSPRs for physico-chemical properties of polychlorinated-dibenzo-p-dioxins and -dibenzo-furans (PCDD/Fs): Exploring the role of electron-correlation #> 146 Predictability of physicochemical properties of polychlorinated dibenzo-p-dioxins (PCDDs) based on single-molecular descriptor models #> 147 Measurement and Modeling the Phase Partitioning of Organophosphate Esters Using Their Temperature-Dependent Octanol–Air Partition Coefficients and Vapor Pressures #> 148 A universal model for the quantum mechanical calculation of free energies of solvation in non-aqueous solvents #> 149 Density functional solvation model based on CM2 atomic charges #> 150 Extension of the platform of applicability of the SM5.42R universal solvation model #> 151 Prediction of Properties from Simulations:? Free Energies of Solvation in Hexadecane, Octanol, and Water #> 152 Measurement of the Henry's law coefficient and first order loss rate of PAN in n?octanol #> 153 Novel flame retardants: Estimating the physical–chemical properties and environmental fate of 94 halogenated and organophosphate PBDE replacements #> 154 QSPR versus fragment-based methods to predict octanol-air partition coefficients: Revisiting a recent comparison of both approaches #> 155 Prediction of octanol-air partition coefficients for PCBs at different ambient temperatures based on the solvation free energy and the dimer ratio #> Team #> 1 Harner #> 2 Harner #> 3 Harner #> 4 Kömp #> 5 Gmehling #> 6 Hiatt #> 7 Harner #> 8 Harner #> 9 Schramm #> 10 Harner #> 11 Chen #> 12 Ferreira #> 13 Abraham #> 14 Treves #> 15 Chen #> 16 Chen #> 17 Harner #> 18 Wania #> 19 Wania #> 20 Chen #> 21 Chen #> 22 Wania #> 23 Batterman #> 24 Harner #> 25 Harner #> 26 Meylan #> 27 Puzyn #> 28 Liang #> 29 Chen #> 30 Harner #> 31 Odabasi #> 32 Odabasi #> 33 Raevsky #> 34 Xu #> 35 Gramatica #> 36 Sepassi #> 37 Zeng #> 38 Dreyer #> 39 Chen #> 40 Eger #> 41 Dreyer #> 42 Chen #> 43 Zhang #> 44 Kwon #> 45 Chen #> 46 Odabasi #> 47 Kropscott #> 48 Liu #> 49 Zeng #> 50 Kropscott #> 51 Jiao #> 52 Kropscott #> 53 Chiappero #> 54 Li #> 55 Yuan #> 56 Kwon #> 57 Harner #> 58 Chen #> 59 Chen #> 60 Wania #> 61 Chen #> 62 Harner #> 63 Eger #> 64 Sandler #> 65 Cabani #> 66 Cabani #> 67 Thomas #> 68 Tewari #> 69 Battino #> 70 Boyer #> 71 Battino #> 72 Sandler #> 73 Raines #> 74 Carr #> 75 Rohrschneider #> 76 Carr #> 77 Carr #> 78 Nedyalkova #> 79 Abraham #> 80 Carr #> 81 Fukuchi #> 82 Fukuchi #> 83 Carr #> 84 Gmehling #> 85 Carr #> 86 Abraham #> 87 Hiatt #> 88 Gerrard #> 89 Acree #> 90 Gerrard #> 91 Martin #> 92 Pollack #> 93 Thomas #> 94 Acree #> 95 Martin #> 96 Acree #> 97 Dohnal #> 98 Wasik #> 99 Yalkowsky #> 100 Carr #> 101 Gardner #> 102 Ellgehausen #> 103 Yalkowsky #> 104 Mackay #> 105 Acree #> 106 Acree #> 107 Niimi #> 108 Ruelle #> 109 Granberg #> 110 Chiou #> 111 Acree #> 112 Ramble #> 113 Pierotti #> 114 Maaßen #> 115 Kohn #> 116 Carr #> 117 Ruelle #> 118 Yalkowsky #> 119 Anliker #> 120 Ruelle #> 121 Yalkowsky #> 122 Kurz #> 123 Yalkowsky #> 124 Yalkowsky #> 125 Yalkowsky #> 126 US EPA #> 127 Yaws #> 128 Bidleman #> 129 Ozcan #> 130 Choi #> 131 Eger #> 132 Eger #> 133 Eger #> 134 Eger #> 135 Eger #> 136 Best #> 137 Eger #> 138 Mackay #> 139 Eger #> 140 Oliferenko #> 141 Abraham #> 142 Harner #> 143 Nabi #> 144 Leng #> 145 Vikas #> 146 Kim #> 147 Odabasi #> 148 Truhlar #> 149 Truhlar #> 150 Truhlar #> 151 Duffy #> 152 Roberts #> 153 Diamond #> 154 Mathieu #> 155 Peijnenburgtable.ref("Harner")#> id Citation Year Type #> 1 ref0001 Harner and Mackay 1995 1995 Journal Article #> 2 ref0002 Harner and Bidleman 1996 1996 Journal Article #> 3 ref0003 Finizio et al. 1997 1997 Journal Article #> 4 ref0007 Shoeib and Harner 2002 2002 Journal Article #> 5 ref0008 Harner and Bidleman 1998 1998 Journal Article #> 6 ref0010 Harner et al. 2000 2000 Journal Article #> 7 ref0017 Harner and Shoeib 2002 2002 Journal Article #> 8 ref0024 Shoeib et al. 2004 2004 Journal Article #> 9 ref0025 Parnis et al. 2015 2015 Journal Article #> 10 ref0030 Goss et al. 2006 2006 Journal Article #> 11 ref0057 Shoeib and Harner 2002b 2002 Journal Article #> 12 ref0062 Unpublished data from Tom Harner 2018 Unpublished Data #> 13 ref0142 Yao et al. 2007 2007 Journal Article #> doi #> 1 10.1021/es00006a025 #> 2 10.1021/je960097y #> 3 10.1016/S1352-2310(97)00013-7 #> 4 10.1021/es020635t #> 5 10.1021/je970175x #> 6 10.1021/es000970m #> 7 10.1021/je010192t #> 8 10.1021/es0305555 #> 9 10.1016/j.atmosenv.2015.03.032 #> 10 10.1021/es060004p #> 11 10.1002/etc.5620210513 #> 12 <NA> #> 13 10.1021/es061725r #> Title #> 1 Measurement of octanol-air partition coefficients for chlorobenzenes, PCBs, and DDT #> 2 Measurements of octanol?air partition coefficients for polychlorinated biphenyls #> 3 Octanol-air partition coefficient as a predictor of partitioning of semi-volatile organic chemicals to aerosols #> 4 Characterization and Comparison of Three Passive Air Samplers for Persistent Organic Pollutants #> 5 Measurement of octanol?air partition coefficients for polycyclic aromatic hydrocarbons and polychlorinated naphthalenes #> 6 Measurements of octanol?air partition coefficients for PCDD/Fs:? a tool in assessing air?soil equilibrium status #> 7 Measurements of octanol?air partition coefficients (KOA) for polybrominated diphenyl ethers (PBDEs):? predicting partitioning in the environment #> 8 Indoor and outdoor air concentrations and phase partitioning of perfluoroalkyl sulfonamides and polybrominated diphenyl ethers #> 9 Temperature dependence of Henry's law constants and KOA for simple and heteroatom-substituted PAHs by COSMO-RS #> 10 The partition behavior of fluorotelomer alcohols and olefins #> 11 Using measured octanol-air partition coefficients to explain environmental partitioning of organochlorine pesticides #> 12 <NA> #> 13 Sources and Occurrence of Dacthal in the Canadian Atmosphere #> Team #> 1 Harner #> 2 Harner #> 3 Harner #> 4 Harner #> 5 Harner #> 6 Harner #> 7 Harner #> 8 Harner #> 9 Harner #> 10 Harner #> 11 Harner #> 12 Harner #> 13 Harnertable.ref("Carr", "upd")#> id Citation Year Type doi #> 1 ref0074 Hussam and Carr 1985 1985 Journal Article 10.1021/ac00281a006 #> 2 ref0076 Park et al. 1987 1987 Journal Article 10.1021/ac00142a016 #> 3 ref0077 Dallas 1995 1995 Dissertation <NA> #> 4 ref0080 Dallas and Carr 1992 1992 Journal Article 10.1039/P29920002155 #> 5 ref0083 Castells et al. 2000 2000 Journal Article 10.1021/je990146h #> 6 ref0085 Castells et al. 1999 1999 Journal Article 10.1021/ie990096+ #> 7 ref0100 Eikens 1993 1993 Dissertation <NA> #> 8 ref0116 Cheong 1989 1989 Dissertation <NA> #> Title #> 1 Rapid and precise method for the measurement of vapor/liquid equilibria by headspace gas chromatography #> 2 Experimental reexamination of selected partition coefficients from Rohrschneider's data set #> 3 Fundamental solvatochromic and thermodynamic studies of complex chromatographic media #> 4 A thermodynamic and solvatochromic investigation of the effect of water on the phase-transfer properties of octan-1-ol #> 5 Headspace gas chromatographic measurements of limiting activity coefficients of eleven alkanes in organic solvents at 25 °c. 1 #> 6 Comparative study of semitheoretical models for predicting infinite dilution activity coefficients of alkanes in organic solvents #> 7 Applicability of theoretical and semi-empirical models for predicting infinite dilution activity coefficients. #> 8 Measurements of limiting activity coefficients of homologous series of solutes and their application to the study of retention mechanism in reversed phase liquid chromatography #> Team #> 1 Carr #> 2 Carr #> 3 Carr #> 4 Carr #> 5 Carr #> 6 Carr #> 7 Carr #> 8 Carr