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Models for liquid-liquid partition in the system propylene carbonate-organic solvent and their use for estimating descriptors for organic compounds.

Journal of chromatography. A (2011-01-07)
Thushara Karunasekara, Colin F Poole
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.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
Heptane, suitable for HPLC, ≥99%
Sigma-Aldrich
Heptane, anhydrous, 99%
Sigma-Aldrich
Propylene carbonate, anhydrous, 99.7%
Sigma-Aldrich
Heptane, ReagentPlus®, 99%
Sigma-Aldrich
Heptane, HPLC Plus, for HPLC, GC, and residue analysis, 99%
Sigma-Aldrich
Propylene carbonate, ReagentPlus®, 99%
Sigma-Aldrich
Heptane, puriss. p.a., reag. Ph. Eur., ≥99% n-heptane basis (GC)
Supelco
Heptane, analytical standard
Sigma-Aldrich
Propylene carbonate, suitable for HPLC, 99.7%
Sigma-Aldrich
Heptane, suitable for HPLC, ≥96%
Sigma-Aldrich
Heptane, biotech. grade, ≥99%
Supelco
Heptane, HPLC grade, ≥99%
Supelco
Propylene carbonate, Selectophore, ≥99.0%

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