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

Solubility and Solution Thermodynamics of the d Form of l-Citrulline in Water + Ethanol Binary Solvent Mixtures

Li, S.[Suye], Jiang, L.[Linjie], Qiu, J.[Jingxuan], Wang, P.[Peng]
J. Chem. Eng. Data 2016, 61, 1, 264-271
ABSTRACT
The solubility of the d form of l-citrulline in the water + ethanol solvent system was measured at temperatures ranging from 293.15 to 333.15 K at atmospheric pressure using the gravimetric method. The crystal form of the solute is recognized as the d form. It could be concluded that ethanol was an effective antisolvent in the crystallization process on the basis of the solubility behavior of the d form of l-citrulline. The experimental solubility data were fitted by using the modified Apelblat equation, the simplified Combined Nearly Ideal Binary Solvent/Redich Kister (CNIBS/R-K) model and the 3D Jouyban Acree model (the combination version of the Jouyban Acree and van t Hoff models). The corresponding relative absolute deviation values were 1.91, 1.71, and 5.13. The thermodynamic properties, including Gibbs energy, enthalpy, and entropy were obtained by using the van t Hoff analysis, which indicated that the dissolution of the d form of l-citrulline is an endothermic and nonspontaneous process.
Compounds
# Formula Name
1 C6H13N3O3 N5-aminocarbonyl-L-ornithine
2 C2H6O ethanol
3 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
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 99
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9