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Development of Abraham model correlations for solute transfer into cyclopentanol from both water and the gas phase based on measured solubility ratios

Sophia K. Cai, Evonne Huang, Kelly Kim, Neel Shanmugam, Advika Varadharajan, Angelina Xu, William E. Acree

2021Physics and Chemistry of Liquids10 citationsDOI

Abstract

Experimental mole fraction solubilities are reported for acenaphthene, benzoin, salicylamide, o-acetoacetanisidide, benzoic acid, 4-chlorobenzoic acid, 3,4-dichlorobenzoic acid, 4-methoxybenzoic acid, 3,4-dimethoxybenzoic acid, 2-hydroxybenzoic acid, 2-methylbenzoic acid, 3-methylbenzoic acid and 4-nitrobenzoic acid dissolved in cyclopentanol at 298.15 K. Results of experimental measurements, combined with published solubility data and activity coefficient data taken from the published literature, were used to derive Abraham model correlations for solute transfer into anhydrous cyclopentanol solvent from both water and from the gas phase. The derived Abraham model correlations back-calculate the observed experimental data to within 0.11 log units (or less).

Topics & Concepts

ChemistryAcenaphtheneSolubilityBenzoic acidMole fractionAcid gasCyclohexanonePhase (matter)SolventThermodynamicsOrganic chemistryInorganic chemistryPhysical chemistryPhenanthrenePhysicsCatalysisAnalytical Chemistry and ChromatographyCrystallization and Solubility StudiesComputational Drug Discovery Methods