title: Models for liquid-liquid partition in the system propylene carbonate-organic solvent and their use for estimating descriptors for organic compounds.
abstract: Partition coefficients for varied compounds were determined for the organic solvent-propylene carbonate biphasic partition system where the organic solvent is n-heptane, isopentyl ether or 1-octanol. These partition coefficient databases are analyzed using the solvation parameter model facilitating a quantitative comparison of the propylene carbonate-based partition systems with other totally organic partition systems. Propylene carbonate is a weak to intermediate cohesive solvent, reasonably dipolar/polarizable and hydrogen-bond basic, and weak hydrogen-bond acidic. Propylene carbonate-organic solvent systems offer a complementary approach to other totally organic biphasic partition systems for sample preparation and descriptor measurements of compounds virtually insoluble or unstable in water.
authors.affiliation: Department of Chemistry, Wayne State University, Detroit, MI 48202, USA.
authors.forename: Thushara
authors.initials: T
authors.lastname: Karunasekara
authors.forename: Colin F
authors.initials: CF
authors.lastname: Poole
mesh_terms: D020003:1-Octanol / Q000737:chemistry*; D005591:Chemical Fractionation / Q000379:methods*; D004987:Ethers / Q000737:chemistry*; D006536:Heptanes / Q000737:chemistry*; D016014:Linear Models; D008956:Models, Chemical; D025341:Principal Component Analysis; D011407:Propane / Q000031:analogs & derivatives* / Q000737:chemistry
chemical_list: D004987:Ethers; D006536:Heptanes; C028618:n-heptane; C488839:pentyl ether; C045990:propylene carbonate; D020003:1-Octanol; D011407:Propane