Determination and modeling of aqueous solubility of 4-position substituted benzoic acid compounds in a high-temperature solution

Accurate experimental determination of the aqueous solubility of 4-position substituted benzoic acid compounds in a high-temperature solution and its correlation are presented. The temperature effect dependence of aqueous solubility was investigated in the range from 303.15 to 473.15 K. The solubility prediction is essential for rapid design and optimization of separation, purification and formulation processes in the chemical industry. Solubility data were determined using a simple and reliable apparatus and analyzed by the classical titration method. Experimental data were regressed with the modified Apelblat equation and the λH equation. The λH equation gave good agreement with all experimental data. A solubility model modified from the λH equation was used to correlate the experimental data. The percentage of average relative deviations of these correlations was 1.40% for the solubility of 4-acetylbenzoic acid in an aqueous solution.

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► The solubility data of 4-position substituted benzoic acid compounds have been investigated.
► The solubility data were determination in high temperature solution.
► The effect of electron-donating groups and electron-withdrawing groups on the solubility was evaluated.
► The relativity coefficients (R2) of the empirical formula were above 0.99.
► The model correlates the solubility data in good agreement.