Correlating environmental partitioning properties of organic compounds: The three solubility approach

Environmental Toxicology and Chemistry

Volumn 19, Issue 2, 2000, Pages 265-270

  Cole, John G ^a   Mackay, Donald ^a  

^a TRENT UNIVERSITY   (Canada)

Author keywords

Air water partition coefficient; Octanol air partition coefficient; Octanol water partition coefficient; Solubility; Vapor pressure

Indexed keywords

CHLOROBENZENE; ENVIRONMENTAL CHEMICAL; OCTANOL; ORGANIC COMPOUND; WATER;

ARTICLE; CHEMICAL ENVIRONMENT; CORRELATION FUNCTION; HYDROPHOBICITY; PARTITION COEFFICIENT; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SOLUBILITY; VAPOR;

EID: 0034057210     PISSN: 07307268     EISSN: None     Source Type: Journal    
DOI: 10.1002/etc.5620190203     Document Type: Article

References (19)

1. Mackay D. 1991. Multimedia Environmental Models: The Fugacity Approach. CRC, Boca Raton, FL, USA.
2. Hansch C, Leo A. 1979. Substituent Constants for Correlation Analysis in Chemistry and Biology. Wiley-Interscience, New York, NY, USA.
3. Pinsuwan S, Myrdal PB, Lee Y-C, Yalkowsky SM. 1997. AQUA-FAC 5: Aqueous functional group activity coefficients: Application to alcohols and acids. Chemosphere 35:2503-2513.
4. Yalkowsky SH, Banerjee S. 1992. Aqueous Solubility: Methods of Estimation for Organic Compounds. Marcel Dekker, New York, NY, USA.
5. Meylan WM, Howard PH. 1991. Bond contribution method for estimating Henry's law constants. Environ Toxicol Chem 10: 1283-1293.
6. Nirmalakhandan NN, Speece RE. 1988. QSAR model for predicting Henry's law constant. Environ Sci Technol 22:1349-1357.
7. Nirmalakhandan NN, Brennan RA, Speece RE. 1997. Predicting Henry's law constant and the effect of temperature on Henry's law constant. Water Res 31:1471-1481.
8. Mackay D, Shiu WY, Ma KC. 1997. Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Vol 5 - Pesticide Chemicals. CRC, Boca Raton, FL, USA.
9. Mackay D, Shiu WY, Ma KC. 1992. Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Vol 1 - Monoaromatic Hydrocarbons, Chlorobenzenes and PCBs. CRC, Boca Raton, FL, USA.
10. Mackay D, Shiu WY, Ma KC. 1992. Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, Vol 2 - Polynuclear Aromatic Hydrocarbons, Polychlorinated Dioxins and Dibenzofurans. CRC, Boca Raton, FL, USA.
11. Andren AW, Doucette WJ, Dickhut RM. 1987. Methods for estimating solubilities of hydrophobic organic compounds: Environmental modeling efforts. In Hites RA, Eisenreich SJ, eds, Sources and Fates of Aquatic Pollutants, Advances in Chemistry Series 216. American Chemical Society, Washington, DC, pp 3-26.
12. Reid RC, Prausnitz JM, Poling BE. 1987. The Properties of Gases and Liquids, 4th ed. McGraw-Hill, New York, NY, USA.
13. Schwarzenbach RP, Gschwend PM, Imboden DM. 1993. Environmental Organic Chemistry. John Wiley & Sons, New York, NY, USA.
14. Pinsuwon S, Li A, Yalkowsky SH. 1995. Correlation of octanol/water solubility and partition coefficients. J Chem Eng Data 40: 623-626.
15. Isnard P, Lambert S. 1989. Aqueous solubility and n-octanol/water partition coefficient correlation. Chemosphere 18:1837-1853.
16. Yalkowsky SH, Valvani SC, Mackay D. 1983. Estimation of the aqueous solubility of some aromatic compounds. Residue Rev 85: 43-55.
17. Goss K-U, Schwarzenbach RP. 1998. Gas/solid and gas/liquid partitioning of organic compounds: Critical evaluation of the interpretation of equilibrium constants. Environ Sci Technol 32: 2025-2032.
18. Karickhoff SW. 1981. Semiempirical estimation of sorption of hydrophobic pollutants on natural sediments and soils. Chemosphere 10:833-849.
19. Mackay D, Shiu WY, Ma KC. 1999. Environmental Fate and Degradation Handbook, CRC netBASE 1999, CD-ROM. CRC, Boca Raton, FL, USA.