Comment on "solubility and thermodynamic function of vanillin in ten different environmentally benign solvents"

Shakeel et al. reported the solubility of vanillin in ten environmentally friendly solvents in Food Chemistry [180 (2015) 244-248] and correlated the solubility data using the modified Apelblat model and the Van't Hoff model. While the experimental data are of significant value, we found that the Apelblat model parameters they reported exhibit systematic deviations, indicating incomplete fitting and resulting in poor agreement between the calculated values and experimental values in several solvent systems. In addition, there appear to be inconsistencies in the reported correlation coefficients (R²) and root mean square deviations (RMSD). In this commentary, by refitting the Apelblat model parameters, we provide corrected parameters that more accurately reflect the experimental data for readers' reference. Additionally, molecular electrostatic potential (MEPs) analysis and density functional theory (DFT) calculations were used to systematically explore the interaction energies between vanillin and ten solvent molecules, thus revealing the dissolution mechanism at the molecular level.