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

Solubility Determination and Correlation for Pyridoxal 5-Phosphate Monohydrate in Different Binary Solvents from 278.15 K to 318.15 K

Sun, Hua, Zhang, Xiaowu, Liu, Baoshu, Liu, Dong
J. Chem. Eng. Data 2018, 63, 8, 3035-3046
ABSTRACT
The solubility of pyridoxal 5-phosphate monohydrate (PLP) in four binary mixed solvents (methanol + water, ethanol + water, isopropanol + water and acetone + water) with various compositions were determined at the temperature from 278.15K to 318.15K by the isothermal dissolution equilibrium method under normal atmospheric pressure. The solubility of PLP increases with the increasing temperature and mole fraction of water for the binary mixed solvents ethanol + water, isopropanol + water and acetone + water. For methanol + water, the mole fraction solubility increases with the temperature at a certain solvent composition, yet the solubility has a maximum value around the mole fraction of water fC = 0.8 when the temperature is higher than 308.15K. The experimental solubility was correlated with Wilson model, NRTL model, Apelblat equation and h equation, and the largest value of RMSD is 16.6649 x 10-5. Apelblat equation could best describe the solubility behavior according to the result of AIC analysis. Gmix, Hmix, and Smix in the mixed solutions are calculated. The dissolution process of PLP in the mixed solvents is spontaneous.
Compounds
# Formula Name
1 C8H10NO6P pyridoxal 5-phosphate
2 C8H12NO7P pyridoxal 5-phosphate hydrate
3 CH4O methanol
4 C2H6O ethanol
5 C3H8O propan-2-ol
6 C3H6O acetone
7 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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Pycnometric method
  • 1
  • POMD
  • 1
  • 3
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Titration method
  • 54
  • POMD
  • 1
  • 4
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Titration method
  • 54
  • POMD
  • 1
  • 5
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Titration method
  • 54
  • POMD
  • 1
  • 6
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Titration method
  • 54
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Titration method
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Titration method
  • 13
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Titration method
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Titration method
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Titration method
  • 9