Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement and thermodynamic functions of solid-liquid phase equilibrium of D-(-)-quinic acid in H2O, methanol, ethanol and (H2O + methanol), (H2O + ethanol) binary solvent mixtures

Huang, Q.[Qiang], Hao, X.[Xinying], Qiao, L.[Laicong], Wu, M.[Mingjian], Shen, G.[Guopeng], Ma, S.[Shuang]
J. Chem. Thermodyn. 2016, 100, 140-147
ABSTRACT
The solubility of D-(-)-quinic acid in H2O, methanol, ethanol and (H2O + methanol), (H2O + ethanol) binary solvent mixtures was measured at temperatures from (298.15 to 328.15 or 348.15) K by using the HPLC method under atmospheric pressure. The experimental values indicate that the solubility of D-(-)-quinic acid in the binary mixed solvents increases with the increasing temperature and decreases with the rise of molar concentration of organic solvents. The Apelblat model, kh model, Wilson model and NRTL model were used to correlate the experimental results and the relative average deviation (RAD) between the experimental and calculated values is less than 0.0358, 0.0421, 0.0359 and 0.0397 for the Apelblat model, kh model, Wilson model and NRTL model, respectively. Furthermore, thermodynamic properties of the solution process, including the Gibbs energy, enthalpy, and entropy were also calculated and analyzed.
Compounds
# Formula Name
1 C7H12O6 (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid
2 CH4O methanol
3 C2H6O ethanol
4 H2O water
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
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 72
  • POMD
  • 3
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 68
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 12
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 12
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 11