title: Estimation of the aqueous solubility of weak electrolytes.
abstract: Jain and Yalkowsky [Jain, N., Yalkowsky, S.H., 2001. Estimation of the aqueous solubility. I. Application to organic non-electrolytes. J. Pharm. Sci. 90, 234-252.] demonstrated that the general solubility equation (GSE) can be used to estimate the aqueous solubility of organic non-electrolytes. In this study the applicability of the GSE was extended to weak electrolytes. It is demonstrated that the GSE estimates the aqueous solubility of 949 compounds, including 367 weak electrolytes with an AAE of 0.58. It is also shown that the intrinsic solubilities of weak acids for which the pK(a)+log S(w)<or=0 and for weak bases for which pK(a)-log S(w)<or=14 are within a factor of 2 of the total solubilities.
authors.affiliation: Wyeth-Ayerst Research, Pearl River, NY 10965, United States.
authors.forename: Neera
authors.initials: N
authors.lastname: Jain
authors.forename: Gang
authors.initials: G
authors.lastname: Yang
authors.forename: Stephen G
authors.initials: SG
authors.lastname: Machatha
authors.forename: Samuel H
authors.initials: SH
authors.lastname: Yalkowsky
mesh_terms: D004573:Electrolytes / Q000737:chemistry*; D006863:Hydrogen-Ion Concentration; D008956:Models, Chemical; D009994:Osmolar Concentration; D012995:Solubility; D012996:Solutions; D044366:Transition Temperature
chemical_list: D004573:Electrolytes; D012996:Solutions