Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubility of L-histidine in different aqueous binary solvent mixtures from 283.15 K to 318.15 K with experimental measurement and thermodynamic modelling

Liu, Y.[Ya], Wang, Y.[Ying], Liu, Y.[Yumin], Xu, S.[Shijie], Chen, M.[Mingyang], Du, S.[Shichao], Gong, J.[Junbo]
J. Chem. Thermodyn. 2017, 105, 1-14
ABSTRACT
In this study, the solubility of L-histidine in three different binary solvents, including (water + acetone), (water + ethanol) and (water + 2-propanol), was measured over temperatures from 283.15 K to 318.15 K by employing a gravimetric method at atmospheric pressure. It was found that the solubility of Lhistidine in the binary mixed solvents increases with the increasing temperature at a given solvent composition, whereas it decreases with the rise of mole fraction of organic solvents. The experimental results were well correlated by the modified Apelblat equation, CNIBS/R-K model, combined version of the Jouyban-Acree model and NRTL model, respectively. This shows that these models can correlate the solubility in three binary mixed solvents accurately. Furthermore, the mixing thermodynamic properties of L-histidine in different binary solvent mixtures were also calculated based on the NRTL model. The result indicates that the mixing process of L-histidine is endothermic and spontaneous.
Compounds
# Formula Name
1 C6H9N3O2 L-histidine
2 C3H6O acetone
3 C2H6O ethanol
4 C3H8O propan-2-ol
5 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
  • 2
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric method
  • 64
  • POMD
  • 3
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric method
  • 72
  • POMD
  • 4
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric method
  • 64
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric method
  • 8