Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Determination and correlation of solubility and solution thermodynamics of valnemulin hydrogen tartrate in different pure solvents

Ouyang, J.[Jinbo], Wang, J.[Jingkang], Hao, H.[Hongxun], Huang, X.[Xin], Gao, Y.[Yuan], Bao, Y.[Ying], Wang, Y.[Yongli], Yin, Q.[Qiuxiang]
Fluid Phase Equilib. 2014, 372, 7-14
ABSTRACT
The solubility of valnemulin hydrogen tartrate in five pure solvents was determined in temperature range of 278.15 K to 333.15 K by using a static analytical method. Five thermodynamic models were used to correlate the experimental solubility data. The correlated results were analyzed and compared with experimental results. It was found that the correlated results were in good agreement with the experimental results. By using the Van't Hoff equation, the dissolution enthalpy and entropy of valnemulin hydrogen tartrate in different solvents were calculated. The mixing thermodynamic properties of valnemulin hydrogen tartrate, including the mixing Gibbs energy, the mixing enthalpy and entropy, as well as the infinite-dilution activity coefficient and the excess enthalpy, were determined by using the Wilson model and the experimental solubility data.
Compounds
# Formula Name
1 H2O water
2 C2H6O ethanol
3 C3H8O propan-2-ol
4 C4H10O butan-1-ol
5 C3H6O acetone
6 C35H58N2O11S valnemulin hydrogen tartrate
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
  • 6
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 6
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • gravimetric
  • 10
  • POMD
  • 2
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • gravimetric
  • 9
  • POMD
  • 3
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • gravimetric
  • 12
  • POMD
  • 4
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • gravimetric
  • 8
  • POMD
  • 5
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • gravimetric
  • 9