Determination of Abraham model solute descriptors for 4-tert-butylbenzoic acid from experimental solubility data in organic mono-solvents. (4th July 2019)

• Record Type: Journal Article
• Authors: Hart, Erin; Lee, Grace; Qian, Ellen; Jodray, Megan; Barrera, Maribel; Fischer, Rachel; Che, Melanie; Liu, Yuqing; Zha, Olivia; Woods, Delani; Acree, William E.; Abraham, Michael H.
• Is Part Of: Physics and chemistry of liquids. Volume 57:Number 4(2019)
• Page Start: 445
• Page End: 452
• Publication Date: 2019-07-04
• Subjects: Solubility of 4-tert-butylbenzoic acid -- Abraham model solute descriptors -- solubility prediction -- alcohol solvents -- alkyl acetate solvents; Liquids -- Periodicals; 530.4205
• DOI: 10.1080/00319104.2018.1482552
• Languages: English
• ISSNs: 0031-9104

Abstract

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.