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Development of Predictive Expressions for Infinite Dilution Activity Coefficients, Molar Solubilities and Partition Coefficients for Solutes Dissolved in 2-Pyrrolidone Based on the Abraham Solvation Parameter Model

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Abstract

A gas chromatographic headspace analysis method was used to experimentally determine gas-to-liquid partition coefficients and infinite dilution activity coefficients for two saturated (2,2,4-trimethylpentane, cyclooctane) and 3 unsaturated hydrocarbons (1,7-octadiene, 1-hexyne, 4-vinyl-1-cyclohexene), one aromatic hydrocarbon (propylbenzene), one haloalkane (1,3-dichloropropane) and four halobenzenes (fluorobenzene, chlorobenzene, 1,2-dichlorobenzene, bromobenzene), two cyclic ethers (tetrahydrofuran, 1,4-dioxane), two alcohols (1-propanol, 2-propanol), three alkyl acetates (ethyl acetate, butyl acetate, pentyl acetate), and one alkanenitrile (acetonitrile) dissolved in 2-pyrrolidone at 298.15 K. The experimental results of the headspace chromatographic measurements, combined with published solubility and infinite dilution activity coefficient data, were used to derive Abraham model correlations for describing solute transfer into 2-pyrrolidone. Mathematical correlations based on the Abraham model describe the observed partition coefficient and activity coefficient data to within 0.14 log10 units (or less).

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Acknowledgements

Igor Sedov acknowledges the Russian Federation President Grant MD-1444.2021.1.3.

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Authors and Affiliations

  1. Department of Chemistry, Kazan Federal University, Kremlevskaya 18, Kazan, Russia, 420008

    Timur I. Magsumov & Igor A. Sedov

  2. Department of Chemistry, University of North Texas, 1155 Union Circle Drive #305070, Denton, TX, 76203, USA

    William E. Acree Jr.

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  1. Timur I. Magsumov
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  2. Igor A. Sedov
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  3. William E. Acree Jr.
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Magsumov, T.I., Sedov, I.A. & Acree, W.E. Development of Predictive Expressions for Infinite Dilution Activity Coefficients, Molar Solubilities and Partition Coefficients for Solutes Dissolved in 2-Pyrrolidone Based on the Abraham Solvation Parameter Model. J Solution Chem 51, 975–991 (2022). https://doi.org/10.1007/s10953-021-01104-4

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