Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Determination and correlation of solubility of thiamine nitrate in water + ethanol mixtures and aqueous solution with different pH values from 278.15 K to 303.15 K

Wang, H.[Haisheng], Qin, Y.[Yujia], Han, D.[Dandan], Li, X.[Xiaona], Wang, Y.[Yan], Du, S.[Shichao], Zhang, D.[Dejiang], Gong, J.[Junbo]
Fluid Phase Equilib. 2015, 400, 53-61
ABSTRACT
The solubility of thiamine nitrate in water + ethanol binary solvent mixtures and aqueous solution with different pH values was determined at temperatures from 278.15 K to 303.15 K by a laser monitoring observation technique at atmospheric pressure. The experimental solubility in water + ethanol system was correlated by the modified Apelblat equation and the CNIBS/R-K model, which both agree well with the experimental results. The dissolution enthalpy, entropy and Gibbs energy of thiamine nitrate were obtained by the van't Hoff equation. The obtained results indicate that the dissolution process of thiamine nitrate is endothermic and entropy-driven. To evaluate the effect of pH value on the solubility of thiamine nitrate in aqueous solution, the Henderson-Hasselbalch (HH) equation was adopted to correlate the experimental solubility and the pH value. It is found that the experimental solubility precisely follows the HH equation and the pH value has a big impact on the solubility of thiamine nitrate at a given temperature. Besides, in this work, to account for the combined effect of pH value and temperature on the solubility of thiamine nitrate in aqueous solution, a modified equation based on the HH equation was established for the first time, and it shows a good correlation between the experimental data and the calculated results.
Compounds
# Formula Name
1 C12H17N5O4S thiamine nitrate
2 H2O water
3 C2H6O ethanol
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
  • 3
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • visual
  • 36