Estimation of the aqueous solubility I: application to organic nonelectrolytes.
The estimation of aqueous solubilities of organic nonelectrolytes by the General Solubility Equation (GSE) as proposed by Valvani and Yalkowsky (1980) is used in this study. The data and assumptions on which the GSE are based are reevaluated, and the equation is revised. The revised GSE is validated on a set of 580 pharmaceutically, environmentally, and industrially relevant nonelectrolytes. The revised equation has a stronger theoretical background and provides a more accurate estimation of aqueous solubility.
Jain
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Department of Pharmaceutical Sciences, College of Pharmacy, The University of Arizona, 1703 E. Mabel Street, Tucson, Arizona 85721, USA. jain@pharmacy.arizona.edu
Yalkowsky
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D009930:Organic Chemicals / Q000737:chemistry*; D012044:Regression Analysis; D012995:Solubility; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*
D009930:Organic Chemicals; D014867:Water