1-Phenylurea Equilibrium Solubility in Several Mono-Solvents from 283.15 to 323.15 K
Jiahong Chen, Renjie Xu, Fengkai Liu, Hongkun Zhao, Ali Farajtabar
Abstract
The saturation shake-flask technique was used to determine the equilibrium solubility of 1-phenylurea in 15 mono-solvents, including methanol, N,N-dimethylformamide (DMF), isobutanol, ethanol, ethylene glycol (EG), N-methyl-2-pyrrolidinone (NMP), dimethyl sulfoxide (DMSO), n-propanol, ethyl acetate, 1,2-dichloroethane (1,2-DEE), isopropanol, water, n-butanol, acetonitrile, and 1,4-dioxane. The mole-fraction solubility of 1-phenylurea increased with increasing temperature and decreased in the following order: DMF > DMSO > NMP > EG > methanol > ethanol > n-propanol > n-butanol > 1,4-dioxane > isopropanol > isobutanol > acetonitrile > ethyl acetate > 1,2-DCE > water. The linear solvation energy equations were used to investigate the solvent effects, such as solvent–solute and solvent–solvent molecular interactions. The magnitudes of equilibrium solubility were connected using thermodynamic models and semi-empirical equations, Wilson, Apelblat, λh, and NRTL. The calculated maximum value of root-mean-square deviation was 6.947 × 10–5, and the calculated maximum value of relative average deviation was 5.61 × 10–2. The relative average deviation (RAD) values obtained using the Apelblat equation were less than those achieved through other relationships for a fixed pure solvent. Finally, using the Wilson equation, the mixing solution characteristics, activity coefficient, and partial molar excess enthalpy at infinite dilution were calculated.