Solubility determination and thermodynamic modeling of 2,4-dinitroaniline in nine organic solvents from T = (278.15 to 318.15) K and mixing properties of solutions

• Solubility of 2,4-dinitroaniline in nine organic solvents were determined.
• The solubility were correlated by using four thermodynamic models.
• The mixing properties of solutions were calculated.

The solubility of 2,4-dinitroaniline in nine organic solvents of methanol, ethanol, acetone, acetonitrile, n-propanol, toluene, isopropanol, ethyl acetate and 1-butanol was determined experimentally by using the isothermal saturation method over a temperature range from (278.15 to 318.15) K under 101.1 kPa. For the temperature range studied, the solubility of 2,4-dinitroaniline in the solvents increased with a rise of temperature. At a specific temperature, the mole fraction solubility is lowest in toluene, and largest in acetone. The solubility order of 2,4-dinitroaniline is acetone > ethyl acetate > acetonitrile > 1-butanol > ethanol > methanol > (n-propanol, isopropanol) > toluene. The modified Apelblat equation, λh equation, Wilson model and NRTL model were employed to correlate the solubility of 2,4-dinitroaniline in the solvents studied. The maximum values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were 3.76 × 10−4 and 1.44%, respectively. The values of RAD   obtained with the modified Apelblat equation were smaller than those with the other three models for a certain solvent. Generally, the four thermodynamic models were all acceptable for the systems of 2,4-dinitroaniline in these solvents. Furthermore, the mixing Gibbs energy, mixing enthalpy, mixing entropy, activity coefficient at infinitesimal concentration (γ1∞) and reduced excess enthalpy (H1E,∞) were computed. The solution process of 2,4-dinitroaniline was spontaneous and endothermic in the solvents. The solubility determined and thermodynamic studies would be very helpful for optimizing the purification process of 2,4-dinitroaniline.

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