References
- Mackay , D. 1979 . Finding fugacity feasible . Environ. Sci. Technol , 13 : 1218 – 1223 .
- Mackay , D. and Paterson , S. 1981 . Calculating fugacity . Environ. Sci. Technol. , 15 : 1006 – 1014 .
- Mackay , D. and Paterson , S. 1990 . “ Fugacity models ” . In Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology , Edited by: Karcher , W. and Devillers , J. 433 – 460 . Dordrecht : Kluwer Academic Publishers .
- MedChem . 1989 . MedChem Software Version 3.54 , Claremont, C A. : Daylight Chemical Information Systems Inc. .
- Grain , C. F. 1982 . “ Vapor pressure ” . In Handbook of Chemical Property Estimation Methods , Edited by: Lyman , W. J. 14.1 – 14.20 . New York : McGraw-Hill .
- Mackay , D. , Bobra , A. , Chan , D. W. and Shiu , W. Y. 1982 . Vapour-pressure correlations for low volatility environmental chemicals . Environ. Sci. Technol. , 16 : 645 – 649 .
- Brüggemann , R. and Altschuh , J. 1991 . A validation study for the estimation of aqueous solubility from n-octanol/water partition coefficients . Sci. Tot. Environ. , 109/110 : 41 – 57 .
- Isnard , P. and Lambert , S. 1989 . Aqueous solubility and n-octanol/water partition coefficient correlations . Chemosphere , 18 : 1837 – 1853 .
- Müller , M. and Klein , W. 1992 . Comparative evaluation of methods predicting water solubility for organic compounds . Chemosphere , 25 : 769 – 782 .
- Nirmalakhandan , N. N. and Speece , R. 1989 . Prediction of aqueous solubility of organic chemicals based on molecular structure. 2. Application to PNAs, PCBs, PCDDs, etc . Environ. Sci. Technol. , 23 : 708 – 713 .
- Speece , R. 1990 . Reply to “Comment on ‘Prediction of aqueous solubility of organic chemicals based on molecular structure. 2. Application to PNAs, PCBs, PCDDs, etc.’ . Environ. Sci. Technol , 24 : 929 – 930 .
- Meylan , W. M. and Howard , P. M. 1991 . Bond contribution method for estimating Henry's law constants . Environ. Toxicol. Chem. , 10 : 1283 – 1293 .
- Jäckel , H. , Müller , M. , Nendza , M. , Klein , W. and Gies-Reuschel , A. 1993 . Abschätzung des umweltchemischen und ökotoxikologischen Verhaltens von Stoffen durch computergestützte Analyse von Struktur und Verhalten sowie von Struktur und Wirkung . UWSF-Z. Umweltchem. Ökotox. , 5 : 11 – 18 .
- STATGRAPHICS . 1991 . Statgraphics , Rockville, Maryland, , USA : STSC, Inc. . Version 5.0
- Rechsteiner , C. E. 1982 . “ Boiling Point ” . In Handbook of Chemical Property Estimation Methods , Edited by: Lyman , W. J. 12.1 – 12.55 . New York : McGraw-Hill .
- Hine , J. and Mookerjee , P. K. 1975 . The intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions . J. Org. Chem. , 40 : 292 – 298 .
- Howard , P. H. 1990 . Handbook of Environmental Fate and Exposure Data for Organic Chemicals , Vols 1–3 , Chelsea : Lewis, Publishers .
- Rippen , G. 1987 . Handbuch Umweltchemikallen , Landsberg : Ecomed .
- Howard , P. H. , Banerjee , S. and Robillard , K. H. 1985 . Measurement of water solubilities, octanol/water partition coefficients and vapor pressures of commercial phthalate esters . Environ. Toxicol. Chem. , 4 : 653 – 661 .
- Worthing , C. R. and Walker , S. B. 1983 . The Pesticide Manual–A World Compendium , Surrey : British Crop Protection Council, Old Woking .
- Hansch , C. , Quinlan , J. E. and Lawrence , G. L. 1968 . The linear free-energy relationship between partition coefficients and the aqueous solubility of organic liquids . J. Org. Chem. , 33 : 347 – 350 .
- Valvani , S. C. and Yalkowski , S. H. 1980 . “ Solubility and partitioning in drug design ” . In Physical Chemical Properties of Drugs , Edited by: Yalkowski , S. H. , Sinkula , A. A. and Valvani , S. C. New York : Marcel Dekker .
- Miller , M. M. , Wasik , S. P. , Huang , G.-L. , Shiu , W.-Y. and Mackay , D. 1985 . Relationships between octanol-water partition coefficient and aqueous solubility . Environ. Sci. Technol. , 19 : 522 – 529 .
- Schwarzenbach , R. , Stierli , R. , Folsom , B. R. and Zeyer , J. 1988 . Compounds properties relevant for assessing the environmental partitioning of nitrophenols . Environ. Sci. Technol. , 22 : 83 – 92 .
- Passino , D. R. M. and Smith , S. B. 1987 . “ Quantitative structure-activity relationships (QSAR) and toxicity data in hazard assessment ” . In QSAR in Environmental Toxicology–II , Edited by: Kaiser , K. L. E. 261 – 270 . Dordrecht : D. Reidel Publishing Company .
- Chiou , C. T. and Schmedding , D. W. 1982 . Partitioning of organic compounds in octanol-water systems . Environ. Sci. Technol. , 16 : 4 – 10 .
- Spencer , W. F. and Cliath , M. M. 1972 . Volatility of DDT and related compounds . J. Agr. Food Chem. , 20 : 645 – 647 .
- Podoll , R. T. , Jaber , H. M. and Mill , T. 1986 . Tetrachlorodibenzodioxin: Rates of Volatilization and Photolysis in the Environmental . Environ. Sci. Technol. , 20 : 490 – 492 .
- Lyman , W. J. 1985 . “ Estimation of Physical Properties ” . In Environmental Exposure from Chemicals, Volume I , Edited by: Neely , W. B. and Blau , G. E. 13 – 47 . Florida : CRC Press, Inc. .