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Abraham model solute descriptors are determined for vanillin and five select derivatives (o-vanillin, isovanillin, vanillic acid, vanillyl alcohol and ethylvanillin) based on experimental solubility and partition coefficient data that we were able to find in the published literature. The solute descriptor values reported in the current communication back-calculate the observed experimental data to within standard errors of 0.12 log units (or less). The calculated solute descriptors can be used to predict the solubility of the vanillin and the five select derivatives in additional organic mono-solvents and binary aqueous-ethanol solvent mixtures using published Abraham model correlations. [ABSTRACT FROM AUTHOR]

Abraham model solute descriptors are determined for 4-nitropyrazole based on published solubility data for 4-nitropyrazole dissolved in binary aqueous-methanol and aqueous-ethanol solvent mixtures at 298.15 K. The calculated solute descriptors enable the solubility of 4-nitropyrazole to be estimated in more than 80 different organic solvents. Also calculated from the published solubility data are the preferential solvation parameters, obtained from the inverse Kirkwood–Buff integrals, for describing the solvent distribution around the dissolved 4-nitropyrazole solute molecule. [ABSTRACT FROM AUTHOR]

The thermodynamic functions Gibbs energy, enthalpy and entropy for the solution processes of naproxen (NAP) in four volatile organic solvents were calculated from solubility values obtained at the temperature interval from 293.15 to 313.15 K. NAP solubility was determined in ethyl acetate, acetone, dichloromethane and acetonitrile, as pure solvents. The respective thermodynamic functions for mixing and solvation processes and the activity coefficients for the solute were also calculated. The NAP solubility decreases in the order, Acetone > AcOEt > DCM > AcNit. In addition, the thermodynamic quantities relative to the transfer process of this drug from cyclohexane to the organic solvents were also calculated in order to estimate the contributions due to hydrogen-bonding or other dipolar interactions. The results were discussed in terms of solute-solvent interactions. [ABSTRACT FROM AUTHOR]

The Abraham solvation parameter model is used to calculate the numerical values of the solute descriptors for phenothiazine from experimental solubilities in organic solvents. The mathematical correlations take the form of where C S and C W refer to the solute solubility in the organic solvent and water, respectively, C G is a gas phase concentration, E is the solute excess molar refraction, V is McGowan volume of the solute, A and B are measures of the solute hydrogen-bond acidity and hydrogen-bond basicity, S denotes the solute dipolarity/polarizability descriptor, and L is the logarithm of the solute gas phase dimensionless Ostwald partition coefficient into hexadecane at 298  K. The remaining symbols in the above expressions are known solvent coefficients, which have been determined previously for a large number of gas/solvent and water/solvent systems. The Abraham solvation parameter model was found to describe the experimental solubility data of phenothiazine within an overall standard deviation of 0.094 log units. [ABSTRACT FROM AUTHOR]

Experimental solubilities are reported for benzilic acid dissolved in ethanol, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol, 2-propanol, 2-butanol, 2-methyl-1-propanol, diethyl ether and methyl tert -butyl ether at 298.15 K. Results of these measurements reveal that the observed solubilities in the nine alcohol solvents fall within a fairly narrow mole fraction range of each other. Benzilic acid is also very soluble in the two ether solvents studied. [ABSTRACT FROM AUTHOR]