Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental measurement and modelling of solubility of inosine-5'-monophosphate disodium in pure and mixed solvents

Zou, F.[Fengxia], Zhuang, W.[Wei], Wu, J.[Jinglan], Zhou, J.[Jingwei], Liu, Q.[Qiyan], Chen, Y.[Yong], Xie, J.[Jingjing], Zhu, C.[Chenjie], Guo, T.[Ting], Ying, H.[Hanjie]
J. Chem. Thermodyn. 2014, 77, 14-22
ABSTRACT
The solubility of biological chemicals in solvents provide important fundamental data and is generally considered as an essential factor in the design of crystallization processes. The equilibrium solubility data of inosine-5'-monophosphate disodium (5'-IMPNa2) in water, methanol, ethanol, acetone, as well as in the solvent mixtures (methanol + water, ethanol + water, acetone + water), were measured by an isothermal method at temperatures ranging from (293.15 to 313.15) K. The measured data in pure and mixed solvents were then modelled using the modified Apelblat equation, van t Hoff equation, kh equation, ideal model and the Wilson model. The modified Apelblat equation showed the best modelling results, and it was therefore used to predict the mixing Gibbs free energies, enthalpies, and entropies of 5'-IMPNa2in pure and binary solvents. The positive values of the calculated partial molar Gibbs free energies indicated the variations in the solubility trends of 5'-IMPNa2. Water and ethanol (in the binary mixture with water) were found to be the most effective solvent and anti-solvent, respectively.
Compounds
# Formula Name
1 C10H11N4Na2O8P inosine 5'-monophosphate disodium
2 CH4O methanol
3 C2H6O ethanol
4 C3H6O acetone
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
  • 1
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 5
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 5
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 5
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 5
  • POMD
  • 2
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 35
  • POMD
  • 3
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 35
  • POMD
  • 4
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 35