Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Determination and correlation of solubility and solution thermodynamics of saccharin in different pure solvents

Tong, Yao, Zhai, Shangru, Wang, Kai, Li, Hongsheng, An, Qingda
J. Chem. Thermodyn. 2019, 133, 70-78
ABSTRACT
The solubility of saccharin in seven pure solvents, including methanol, ethanol, n-propanol, isopropanol, isobutanol, ethyl acetate and acetone, was determined from 278.15 K to 323.15 K by using a gravimetric method at atmospheric pressure. The solubility of saccharin is positively related to temperature in all selected solvents. The cooperation effect between polarity and interaction bonding was revealed by the molecular simulation study to give the explanation for the sequence of solubility in various solvents. Besides, the experimental solubility data was correlated by the modified Apelblat equation, lambdah equation, Wilson model and NRTL model. The results indicate that all the models could give satisfactory correlation results, whereas the modified Apelblat model shows the best fitting result. Furthermore, the thermodynamic properties of the dissolution process of saccharin in the appointed solvents, including the Gibbs energy, enthalpy and entropy of dissolution, were also calculated and discussed according to the Wilson model and the result turns out that the dissolution process of saccharin is endothermic.
Compounds
# Formula Name
1 C7H5NO3S 1,2-benzoisothiazolin-3-one 1,1-dioxide
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C4H10O 2-methyl-1-propanol
7 C4H8O2 ethyl acetate
8 C3H6O acetone
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
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 10
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 10
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 10
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 10
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 10
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 10
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Gravimetric
  • 10