Journal of Chemical and Engineering Data, Vol.64, No.1, 315-323, 2019
Solubility Modeling, Solute-Solvent Interactions, and Thermodynamic Dissolution Properties of p-Nitrophenylacetonitrile in Sixteen Monosolvents at Temperatures Ranging from 278.15 to 333.15 K
The investigation on p-nitrophenylacetonitrile solubility in ethanol, methanol, isopropanol, n-propanol, acetonitrile, acetone, ethyl acetate, toluene, n-butanol, cyclohexane, 2-butanone, isobutanol, acetic acid, 1,4-dioxane, water, and ethylbenzene was performed via the shake-flask technique covering the temperature range from 278.15 to 333.15 K at local atmospheric pressure. The mole fraction solubility of p-nitrophenylacetonitrile increased with an increase of the studied temperature and followed a sequence in the 16 solvents with the exception of 1,4-dioxane: ethyl acetate > acetone > (acetonitrile, 2-butanone) > toluene > acetic acid > ethylbenzene > methanol > ethanol > n-propanol > n-butanol > isopropanol > isobutanol > cyclohexane > water. There was no solvation or polymorphic transformation during the experiment process. Correlation was made for the obtained p-nitrophenylacetonitrile solubility in the 16 solvents using the lambda h, Apelblat, Wilson, and NRTL models. The obtained maximum relative average deviation was 2.67%, and root-mean-square deviation, 2.57 x 10(-3). The solute-solvent and solvent-solvent interactions were studied based on the linear solvation energy relationship approach. Furthermore, the thermodynamic dissolution properties, reduced excess enthalpy, and activity coefficient under infinitesimal condition were also computed.