1. Solubility and thermodynamic analysis of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone in different pure and binary solvents.
- Author
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Cheng, Ken, Wang, Lei, Yu, Yi, Xiang, Yong, Bai, WenCai, Xu, Li, and Li, Hongping
- Subjects
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THERMODYNAMICS , *SOLUBILITY , *SOLVENTS , *ACETONE , *BINARY mixtures , *ETHYL acetate , *ISOPROPYL alcohol , *COLLOIDS - Abstract
• Isothermal saturation method was used to measure the solubility of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone in eight pure solvents and two binary solvents at temperatures ranging from 273.15 K to 308.15 K. • Analysis of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone by DSC and XRD. • Van't Hoff model, modified Apelblat model, NRTL model, Wilson model, Jouyban − Acree model, Sun model were used to correlate the solubility of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone. • Hansen solubility parameter was used to reveal the solubility behavior of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone. • The thermodynamic properties (Δ sol H°, Δ sol S°, Δ sol G°, %ξ H and %ξ TS) were discussed by van't Hoff equation. In this work, the solubility of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone was measured and correlated by isothermal saturation method in eight pure solvents (isopropyl alcohol, n -octanol, ethyl acetate, acetonitrile, ethanol, acetone, cyclohexane, methanol) and two binary solvents (isopropyl alcohol + ethyl acetate, ethanol + acetonitrile) at temperatures ranging from 273.15 K to 308.15 K. The results show that the solubility of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone in the selected solvent is positively correlated with temperature. The experimental solubility data were correlated by six thermodynamic models, including Van't Hoff equation, modified Apelblat equation, NRTL model, Wilson model, Jouyban − Acree model and Sun model. The values of RAD and RMSD showed that these models fit the solubility data well. Besides, Hansen solubility parameter was used to reveal the solubility behavior of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone. Finally, the thermodynamic propertie Δ sol H○, Δ sol S○, Δ sol G○, %ξ H and %ξ TS were calculated by van't Hoff equation. The results showed Δ sol H○, Δ sol G○, Δ sol S○, are all positive values, indicating that the dissolution process in selected solvents was entropy-driven and endothermic. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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