Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Application of the NRTL method to correlate solubility of diosgenin

Chen, F.-x.[Fei-xiong], Qi, Z.-l.[Zhen-li], Feng, L.[Lu], Miao, J.-y.[Jun-yan], Ren, B.-z.[Bao-zeng]
J. Chem. Thermodyn. 2014, 71, 231-235
ABSTRACT
Using the synthetic method, the solubility of diosgenin in 1-hexanol and 1-heptanol was measured at temperatures from 300 K to 329 K by a laser monitoring observation technique at atmospheric pressure. The solubility data were correlated by semi-empirical equations, such as the Apelblat equation, kh model and the ideal model, which agreed well with experimental results. The fusion enthalpy and the melting point determined by differential scanning calorimeter (DSC), are 34064.2 J mol 1 and 207.09 C for diosgenin. With collection of over 14 solvents from different references, the NRTL thermodynamic model as one of the activity coefficient models was used to correlate and predict the solubility of diosgenin. The solubility calculated for all solvents showed good agreement with the experimental results within the temperature range studied. Additionally, the solubility of diosgenin in 14 solvents is also investigated at T = 308.15 K, the results of which indicated that solubility of diosgenin in n-alkanols tends to increase with increasing alkanol chain length from methanol to 1-heptanol and n-alkanols presented higher solubility than heterogeneous alcohols for diosgenin, such as 1-butanol greater than isobutyl alcohol greater than tert-butanol and 1-propanol greater than isopropanol. It also shows that solubility of diosgenin decreases with the increasing polarity of solvents. Its corresponding (solid + liquid) equilibrium data will provide essential support for industrial design and further detailed theoretical studies.
Compounds
# Formula Name
1 C27H42O3 Diosgenin
2 C6H14O hexan-1-ol
3 C7H16O heptan-1-ol
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
  • Normal melting 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
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • laser monitoring observation technique
  • 18
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • laser monitoring observation technique
  • 17