Gaoquan Chen

Solubility and Preferential Solvation of 3-Nitrobenzonitrile in Binary Solvent Mixtures of Ethyl Acetate Plus (Methanol, Ethanol, n-Propanol, and Isopropyl Alcohol)

The solubilities of 3-nitrobenzonitrile in solvent mixtures of ethyl acetate (1) + methanol (ethanol, n-propanol or isopropyl alcohol) (2) determined over the temperature range from 278.15 to 318.15 K under atmospheric pressure (101.1 kPa) with the isothermal dissolution equilibrium method were reported. They increased with a rise of temperature and mass fraction of ethyl acetate, and the largest solubility value was observed in neat ethyl acetate for all the binary mixtures investigated. The temperature and solvent composition dependence of 3-nitrobenzonitrile solubility was analyzed through the Jouyban–Acree, van’t Hoff–Jouyban–Acree, and Apelblat–Jouyban–Acree models acquiring average relative deviations lower than 1.57% and root-mean-square deviation lower than 11.52 × 10–4 for correlative investigations. In addition, the preferential solvation parameters (δx1,3) of 3-nitrobenzonitrile by ethyl acetate were determined from experimental solubility values by using the inverse Kirkwood–Buff integrals. It...