2018/12/19 by Gaoquan Chen, Jinhua Liang, Jingchao Han +1 · 134 citations
Chemical Engineering · Chemistry · Materials Science · #Acetone #Acetonitrile #Activity coefficient #Analytical Chemistry and Chromatography #Aqueous solution #Butanone #Chemical and Physical Properties in Aqueous Solutions #Chemistry #Crystallization and Solubility Studies #Cyclohexane #Dissolution #Ethyl acetate #Ethylbenzene #Isobutanol #Methanol #Non-random two-liquid model #Organic chemistry #Solubility #Solvation #Solvent #Toluene
paper · doi:10.1021/acs.jced.8b00811
published in Journal of Chemical & Engineering Data 64(1), 315-323 (American Chemical Society)
openalex publication_date 2018/12/19 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30
The investigation on p -nitrophenylacetonitrile solubility in ethanol, methanol, isopropanol, n -propanol, acetonitrile, acetone, ethyl acetate, toluene, n -butanol, cyclohexane, 2-butanone, isobutanol, acetic acid, 1,4-dioxane, water, and ethylbenzene was performed via the shake-flask technique covering the temperature range from 278.15 to 333.15 K at local atmospheric pressure. The mole fraction solubility of p -nitrophenylacetonitrile increased with an increase of the studied temperature and followed a sequence in the 16 solvents with the exception of 1,4-dioxane: ethyl acetate > acetone > (acetonitrile, 2-butanone) > toluene > acetic acid > ethylbenzene > methanol > ethanol > n -propanol > n -butanol > isopropanol > isobutanol > cyclohexane > water. There was no solvation or polymorphic transformation during the experiment process. Correlation was made for the obtained p -nitrophenylacetonitrile solubility in the 16 solvents using the λh, Apelblat, Wilson, and NRTL models. The obtained maximum relative average deviation was 2.67%, and root-mean-square deviation, 2.57 × 10 –3 . The solute–solvent and solvent–solvent interactions were studied based on the linear solvation energy relationship approach. Furthermore, the thermodynamic dissolution properties, reduced excess enthalpy, and activity coefficient under infinitesimal condition were also computed.