Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility of L-asparagine monohydrate in water and water-isopropanol mixed solvents: Measurements and thermodynamic modelling

Lenka, M.[Maheswata], Sarkar, D.[Debasis]
Fluid Phase Equilib. 2016, 412, 168-176
ABSTRACT
The solubility of L-asparagine monohydrate (LAM) in pure water and various water-isopropanol mixtures is determined in the temperature range from 298.15 K to 333.15 K using gravimetric method. The solubility of LAM increases with increasing temperature at a given solvent composition within the temperature range studied, and decreases with increasing isopropyl alcohol(IPA) ratio over the same temperature range for water-IPA mixture. The NRTL and UNIQUAC framework with adjustable binary parameters were used to correlate the experimental solubility data and the computed solubilities are in good agreement with experimental observations. The heat of fusion for LAM was considered as an additional parameter for both the models and was estimated along with binary parameters using experimental solubility data and a nonlinear regression method. The dissolution enthalpy and dissolution entropy of the solution of LAM in pure water and water-IPA mixtures were also obtained using van't Hoff equation.
Compounds
# Formula Name
1 C4H10N2O4 L-asparagine monohydrate
2 C3H8O propan-2-ol
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
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • 1
  • 3
  • Mass ratio of solute to solvent - 1 ; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric method
  • 56