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

Solubility and Modeling of Hesperidin in Cosolvent Mixtures of Ethanol, Isopropanol, Propylene Glycol, and n-Propanol + Water

Xu, Renjie, Cong, Yang, Zheng, Min, Chen, Gaoquan, Chen, Jiao, Zhao, Hongkun
J. Chem. Eng. Data 2018, 63, 3, 764-770
ABSTRACT
The equilibrium solubility of hesperidin in cosolvent mixtures of ethanol (1) + water (2), isopropanol (1) + water (2), propylene glycol (1) + water (2) and n-propanol (1) + water (2) were determined experimentally by using the static method within temperature range from (293.15 to 333.15) K under atmospheric pressure of 101.1 kPa. The hesperidin solubility increased monotonously with increasing temperature and mass fraction of ethanol (isopropanol, propylene glycol and n-propanol). At the same temperature and mass fraction of alcohol, the mole fraction solubility of hesperidin was greater in (propylene glycol + water) than in the other three cosolvent mixtures. The solubilities of hesperidin in the four cosolvent mixtures were mathematically represented by using the Jouyban-Acree model, van't Hoff-Jouyban-Acree model and Apelblat-Jouyban-Acree model obtaining average relative deviations lower than 2.38 % for correlative studies.
Compounds
# Formula Name
1 C28H34O15 (S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
2 C2H6O ethanol
3 C3H8O propan-2-ol
4 C3H8O2 1,2-propanediol
5 C3H8O propan-1-ol
6 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
  • 2
  • 6
  • Mole fraction - 1 ; Liquid
  • Mass fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 81
  • POMD
  • 1
  • 3
  • 6
  • Mole fraction - 1 ; Liquid
  • Mass fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 81
  • POMD
  • 1
  • 4
  • 6
  • Mole fraction - 1 ; Liquid
  • Mass fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 81
  • POMD
  • 1
  • 5
  • 6
  • Mole fraction - 1 ; Liquid
  • Mass fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 90