Volume 4, Issue 3 p. 297-305
Review
Free Access

Quantitative structure-activity relationships for the acute toxicity of chlorobenzenes to Daphnia magna

Alice Bobra

Alice Bobra

Institute for Environmental Studies, University of Toronto, Toronto, Ontario, Canada

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Wan Ying Shiu

Wan Ying Shiu

Institute for Environmental Studies, University of Toronto, Toronto, Ontario, Canada

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Donald Mackay

Corresponding Author

Donald Mackay

Institute for Environmental Studies, University of Toronto, Toronto, Ontario, Canada

Institute for Environmental Studies, University of Toronto, Toronto, Ontario, CanadaSearch for more papers by this author
First published: June 1985
Citations: 36

Abstract

The relationships between physical-chemical properties of aqueous solubility, octanol/water partition coefficient, vapor pressure, boiling and melting points and Henry's Law constant are discussed and illustrated for the chlorobenzenes. It is suggested that a critical review of such data is an essential component of quantitative structure-activity relationship (QSAR) development and can elucidate the potential for air/water and organism/water partitioning during bioas-says. Experimental 48-h EC50 data are reported for Daphnia magna in a closed system and relationships established between EC50, solubility and octanol/water partition coefficient. It is suggested that when presenting QSAR data, logarithmic plots should be prepared of the toxic concentration versus both solubility and octanol/water partition coefficient. The results indicate that in this case the toxic effect is nonspecific in nature and that the EC50 is controlled primarily by organism/water partitioning.