Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Determination and correlation of solubility and solution thermodynamics of coumarin in different pure solvents

Huang, X.[Xin], Wang, J.[Jingkang], Hao, H.[Hongxun], Ouyang, J.[Jinbo], Gao, Y.[Yuan], Bao, Y.[Ying], Wang, Y.[Yongli], Yin, Q.[Qiuxiang]
Fluid Phase Equilib. 2015, 394, 148-155
ABSTRACT
The solubility of coumarin in six pure solvents was experimentally determined at temperature ranging from 278.15 K to 318.15 K by using a static analytical method under atmospheric pressure. The results showed that the solubility of coumarin in all tested solvents increases with the increasing temperature. Four thermodynamic models were used to correlate the experimental solubility data and the calculation results showed that all models can give satisfactory correlation results. The melting temperature and the enthalpy of fusion of coumarin were also measured by differential scanning calorimetry (DSC). In addition, the mixing thermodynamic properties of coumarin were also estimated by using the Wilson model and the experimental solubility data.
Compounds
# Formula Name
1 CH4O methanol
2 C2H6O ethanol
3 C3H8O propan-1-ol
4 C3H8O propan-2-ol
5 C6H14 hexane
6 C6H12 cyclohexane
7 C9H6O2 1,2-benzopyrone
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 7
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 7
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 7
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Titration method
  • 9
  • POMD
  • 2
  • 7
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Titration method
  • 9
  • POMD
  • 3
  • 7
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Titration method
  • 9
  • POMD
  • 4
  • 7
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Titration method
  • 9
  • POMD
  • 7
  • 5
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Titration method
  • 9
  • POMD
  • 7
  • 6
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Titration method
  • 8