Solubility and Molecular Interactions of 4-Cyanopyridine in Aqueous Blends at Temperatures from 278.15 to 318.15 K

Abstract

This study investigated the solubility, computational methods, and molecular interactions of 4-cyanopyridine in methanol/acetone/ethanol/n-propanol + water from 278.15 to 318.15 K. Solubility was evaluated using an isothermal dissolving approach under a pressure of 101.0 kPa. Pure water solvents were found to have the lowest solubility magnitude at 278.15 K, whereas pure organic solvents had the highest at 318.15 K. Solubility data increased monotonically with the increase of temperature and methanol/acetone/ethanol/n-propanol composition for all blends. The impact of interactions on 4-cyanopyridine solubility variation was inspected, specifying that the solubility parameter as well as dipolarity-polarizability of aqueous solutions mainly contributed to solubility data variation. To correlate the solubility determined here, the modified Wilson, Apelblat, and van’t Hoff-Jouyban–Acree models, along with Jouyban–Acree representations, were utilized, with a maximum relative average deviation of 5.36%.

Solubility Measurement and Thermodynamic Modeling of Bifendate in 13 Pure Solvents at Temperatures from 293.15 to 333.15 K

“…Currently, the measurement of solubility relies on numerous experiments, resulting in significant consumption of both time and organic solvents. Therefore, many thermodynamic models have been used to predict the solubility of solutes in different solvent systems including the NRTL, − van’t Hoff, − λh, − and Jouyban–Acree − models. Perturbed-chain statistical associating fluid theory (PC-SAFT) has also been successfully applied to describe the phase behavior and calculate the thermodynamic properties of the systems .…”