Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Determination of the solubility and dissolution thermodynamic properties of wedelolactone in a binary solvent of ethanol and water

Liu, C.[Cheng], Tang, G.[Guiwen], Ding, H.[Hui], Chen, R.[Ruru], Liu, M.[Mingchao]
Fluid Phase Equilib. 2015, 385, 139-146
ABSTRACT
Experimental solubility data of wedelolactone in a binary system of ethanol and water from 278.15 K to 323.15 K were measured using a thermostatted reactor by static method and HPLC analysis. The effects of binary solvents composition and temperature on the solubility were discussed and it was found that wedelolactone solubility in (water + ethanol) mixed solvents presented a monotonic effect in the studied region. The measured data were regressed by the modified Apelblat equation, Wilson model, nonrandom two-liquid (NRTL) model and the binary solvent (CNIBS)/Redlich Kister model, and the maximum P (%D) values were 0.75, 1.90, 4.34 and 0.38, respectively. The correlation results showed that calculated values by the four models agree well with the experimental data. Using the experimentally measured solubility values, the thermodynamic properties of dissolution of the wedelolactone, including Gibbs energy change (DGd), molar enthalpy change (DHd) and molar entropy change (DSd) of dissolution, were calculated. The values of the standard molar Gibbs energy change and standard enthalpy molar change of solution were both positive, which indicated that the dissolution of wedelolactone in the binary system of ethanol and water was endothermic and no-spontaneous process.
Compounds
# Formula Name
1 H2O water
2 C2H6O ethanol
3 C16H10O7 wedelolactone
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
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Chromatography
  • 60