Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

ABSTRACT

The o-nitrophenzylacetonitrile solubilities in some pure solvents such as n-propanol, methanol, toluene, ethanol, isopropanol, acetonitrile, acetone, cyclohexane, ethyl acetate, n-butanol, 2-butanone, isobutanol, acetic acid, water, 1,4-dioxane and ethylbenzene were determined via shake-flask method at temperatures from 278.15 K to 333.15 K under about 101.2 kPa. Good dissolution ability was found for o-nitrophenzylacetonitrile in the organic solvents. The order of solubility magnitude from high to low except for the solvents of ethyl acetate and 1,4-dioxane was as follows: acetone greater than 2-butanone greater than acetonitrile greater than toluene greater than (acetic acid, ethylbenzene) greater than methanol greater than ethanol greater than n-propanol greater than isopropanol greater than n-butanol greater than isobutanol greater than cyclohexane greater than water. X-ray power diffraction analysis was carried out to analyze the solids equilibrated with corresponding liquor, indicating that no polymorphic transformation or solvate formation taken place in the sixteen solvents. The correlation of determined solubility was performed via the Wilson model, Apelblat equation, NRTL model and h equation. Maximum root-mean-square deviation and relative average deviation were 49.66x10-4 and 4.97 %, respectively. The Apelblat equation presented the best correlating results among these models. In addition, the solvent-solvent and solute-solvent interactions were investigated on the basis of the approach of linear solvation energy relationship.