Abraham model correlations for transfer of neutral molecules and ions to sulfolane

Abstract

Data have been compiled from the published literature on the partition coefficients of solutes and vapors into anhydrous sulfolane. The logarithms of the water-to-sulfolane partition coefficients, log P, and gas-to-sulfolane partition coefficients, log K, were correlated with the Abraham solvation parameter model. The derived correlations described the observed log P and log K values for solutes dissolved in sulfolane to within average standard deviations of 0.14 log units or less. The log P correlation was extended to include the partition of ions by inclusion of a cation-solvent and an anion-solvent term.

IUPAC-NIST Solubility Data Series. 102. Solubility of Nonsteroidal Anti-inflammatory Drugs (NSAIDs) in Neat Organic Solvents and Organic Solvent Mixtures

“…(10) and (11) are obtained by multiple linear regression analysis of experimental partition coefficient data and solubility ratios for a specific biphasic system. To date, Abraham model correlations have been developed for predicting the solubility of crystalline nonelectrolytes in more than 70 different organic solvents, [28][29][30][31][32][33][34][35] for predicting the water-toorganic solvent and gas-to-organic solvent partition coefficient for more than 70 different biphasic systems, [28][29][30][31][32][33][34][35][36][37] and for predicting the partition coefficients of organic vapors and gaseous solutes into aqueous micellar solvent media, 38,39 into humic acid, 40 and into various body tissues and fluids. [41][42][43][44][45][46][47] Each of the aforementioned predictions requires a priori knowledge of the compound's solute descriptors as input parameters.…”

Abraham model correlations for describing solute transfer into 2-butoxyethanol from both water and the gas phase at 298K

“…The model that we have been using in our studies has been the Abraham solvation parameter model [2,[21][22][23][24][25][26], which allows one to describe solute transfer between two condensed phases (a biphasic aqueous-organic or organic-organic system) or solute transfer to a condensed phase from the vapor phase. During the past five years we have published Abraham model correlations for 11 additional organic solvents (e.g., diisopropyl ether [27], tributyl phosphate [28], 2-hexadecene [29,30], 1,9-decadiene [29,30], sulfolane [31], benzonitrile [32], ethylbenzene [33], o-xylene [34], m-xylene [34], p-xylene [34], 2-ethoxyethanol [35], and propylene glycol [36]) and several ionic liquids [37][38][39][40][41][42][43][44][45][46][47], as well as updating our existing correlations for hexane [48], heptane [48], octane [48], decane [48], isooctane [49], toluene [33], tetrahydrofuran [50], and 1,4-dioxane [50].…”

Abraham model correlations for describing solute transfer into anhydrous 1,2-propylene glycol for neutral and ionic species

“…[5][6][7][8][77][78][79][80] Since the coefficients c p, e p, s p, a p, b p and v p remain the same in equations for the partition of neutral species and ions from water to a particular solvent, we can take these coefficients as those in Equation (5) and need only to determine the extra coefficients j p + and j p -in order to develop an equation for the partition of ionic compounds from water to propylene glycol. This requires a knowledge of partition coefficients for ionic compounds for transfer from water to propylene glycol.…”

“…The log P values calculated through Equations (11) and (14) are in Table 2, together with the required descriptors for the ionic species. [5,[77][78][79][80] The values of pK a in Equation (14) were from a number of sources. [58,[84][85][86][87] In addition to pK a values, electrochemical data can be used to determine partition coefficients for (H + + X -), where X -= Cl -, Br -and I -.…”