Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Solubility of Gastrodin in Pure and Mixed Solvents at 273.15-313.15 K and Its Correlation with Different Thermodynamic Models

Zhu, Y.[Yuwei], Chen, X.[Xiang], Luo, T.[Ting], Wang, W.[Wei], Chen, H.[Hong], Zhao, J.[Jia], Li, R.[Rongrong], Han, D.[Deman]
J. Chem. Eng. Data 2019, 64, 10, 4223-4229
ABSTRACT
The solubility of gastrodin in pure and mixed solvents was determined by using the isothermal saturation method at temperatures ranging from (273.15 to 313.15) K under 101.0 kPa. At all studied temperature, the solubility data obey the following order: 1,4-dioxane greater than ethyl acetate greater than toluene greater than cyclohexanone greater than isopropanol greater than acetone greater than ethanol greater than n-propanol greater than acetonitrile greater than 1-butanol greater than cyclohexane. In mixture of (ethyl acetate + ethanol), it increases firstly and then decreases with the increasing mass fraction of cosolvent. The composition dependence of the solubility has a maximum at around w = 0.8. The solubility data in pure and mixed solvents were correlated by modified Apelblat equation, h equation, Jouyban-Acree model and CNIBS/R-K model. In pure solvent, the largest RMSD value is 5.710-5, which is obtained in h equation, the RAD values are all less than 6.77%. In mixed solvents, the RAD data between the experimental and calculated values by Jouyban-Acree model is a little larger, 5.27%, and the RMSD value is 3.2210-4. However, with CNIBS/R-K model, the maximum RAD value obtained by the CNIBS/R-K model is 2.68% and the RMSD value is 7.110-5. CNIBS/R-K model is better
Compounds
# Formula Name
1 C13H18O7 gastrodin
2 C6H10O cyclohexanone
3 C3H8O propan-1-ol
4 C4H8O2 ethyl acetate
5 C2H3N acetonitrile
6 C4H8O2 1,4-dioxane
7 C3H6O acetone
8 C7H8 toluene
9 C2H6O ethanol
10 C3H8O propan-2-ol
11 C4H10O butan-1-ol
12 C6H12 cyclohexane
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
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 6
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 54