Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

ABSTRACT

In this work, the solubility of 4-nitrobenzaldehyde in methanol, ethanol, isopropanol, n-butanol, acetone, ethyl acetate, acetonitrile, 2-butanone, N,N-dimethylformamide, n-propanol and toluene was determined with the isothermal saturation method at the temperatures ranging from (273.15 to 313.15) K under atmosphere pressure. The mole fraction solubility increased with increasing temperature and obeyed the following order from high to low in the selected solvents except for acetonitrile: N,N-dimethylformamide greater than acetone greater than 2-butanone greater than ethyl acetate greater than methanol greater than toluene greater than ethanol greater than npropanol greater than n-butanol greater than isopropanol. The results correlated with four models, which corresponded to the Apelblat equation, kh equation, Wilson model and NRTL model. The largest value of root-meansquare deviation (RMSD) was 11.53*10-4, and relative average deviation (RAD), 2.36%. The four thermodynamic models could all be employed to correlate the mole fraction solubility of 4-nitrobenzaldehyde in the selected solvents under studied conditions. In addition, the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration (c1 1 ) and reduced excess enthalpy (HE;1 1 ) were computed. The mixing process of 4-nitrobenzaldehyde in the solvents was spontaneous and endothermic. The acquired solubility and thermodynamic studies would be very helpful for optimizing the purification process and further study of 4-nitrobenzaldehyde.