Determination of Abraham model solute descriptors for 4-tert-butylbenzoic acid from experimental solubility data in organic mono-solvents

Erin HartDepartment of Chemistry, University of North Texas, Denton, TX, USA

Grace LeeDepartment of Chemistry, University of North Texas, Denton, TX, USA

Ellen QianDepartment of Chemistry, University of North Texas, Denton, TX, USA

Megan JodrayDepartment of Chemistry, University of North Texas, Denton, TX, USA

Maribel BarreraDepartment of Chemistry, University of North Texas, Denton, TX, USA

Rachel FischerDepartment of Chemistry, University of North Texas, Denton, TX, USA

Melanie CheDepartment of Chemistry, University of North Texas, Denton, TX, USA

Yuqing LiuDepartment of Chemistry, University of North Texas, Denton, TX, USA

Olivia ZhaDepartment of Chemistry, University of North Texas, Denton, TX, USA

Delani WoodsDepartment of Chemistry, University of North Texas, Denton, TX, USA

William E. Acree Jr.Department of Chemistry, University of North Texas, Denton, TX, USACorrespondence[email protected]

Michael H. AbrahamDepartment of Chemistry, University College London, London, UK

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ABSTRACT

Mole fraction solubilities are determined at 298 K for 4-tert-butylbenzoic acid dissolved in 11 different alcohols (1-butanol, 2-butanol, ethanol, 1-heptanol, 1-hexanol, 2-methyl-1-propanol, 2-methyl-2-propanol, 3-methyl-1-butanol, 1-pentanol, 1-propanol, and 2-propanol), in three different alkoxyalcohols (2-butoxyethanol, 2-ethoxyethanol, and 2-methoxyethanol), in five different alkyl alkanoates (butyl acetate, ethyl acetate, methyl acetate, pentyl acetate, and propyl acetate), in one cyclic ether (1,4-dioxane) and in two different alkanenitriles (acetonitrile and propanenitrile). Results of the experimental solubilities are used to calculate Abraham model solute descriptors for the monomeric form of 4-tert-butylbenzoic acid. The calculated Abraham model solute descriptors back-calculated the observed solubility data to within 0.079 log units.

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Determination of Abraham model solute descriptors for 4-tert-butylbenzoic acid from experimental solubility data in organic mono-solvents

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Determination of Abraham model solute descriptors for 4-tert-butylbenzoic acid from experimental solubility data in organic mono-solvents

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