Abraham model correlations for solute transfer into cyclopentanone. (2nd November 2022)

• Record Type: Journal Article
• Authors: Daniel, Alyssa; Kim, Kelly; Shanmugam, Neel; Sinha, Sneha; Varadharajan, Advika; Acree, William E.
• Is Part Of: Physics and chemistry of liquids. Volume 60:Number 6(2022)
• Page Start: 964
• Page End: 976
• Publication Date: 2022-11-02
• Subjects: Abraham model correlations -- solubility -- cyclopentanone solvent -- organic solutes; Liquids -- Periodicals; 530.4205
• DOI: 10.1080/00319104.2022.2098296
• Languages: English
• ISSNs: 0031-9104

Abstract

ABSTRACT: Mole fraction solubilities have been measured for anthracene, benzoic acid, 4- tert -butylbenzoic acid, 3-chlorobenzoic acid, 2-hydroxybenzoic acid, 2-methylbenzoic acid, 3-methylbenzoic acid, 3-nitrobenzoic acid and pyrene dissolved in cyclopentanone at 298.15 K using either spectrophotometric or acid-base titrimetric methods. Results of our experimental measurements, combined with published solubility data for several inorganic and organic gases, solubility data for several important crystalline pharmaceutical intermediates and activity coefficient data taken from the published literature, were used to derive Abraham model correlations for solute transfer into anhydrous cyclopentanone solvent from both water and from the gas phase. The derived Abraham model correlations back-calculate the observed experimental data to within 0.10 log units (or less). Reported for the first time are solute descriptor values for several important pharmaceutical intermediates.