Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubility of dibenzothiophene in nine organic solvents: Experimental measurement and thermodynamic modelling

Tao, Bao, Li, Xiuqing, Yan, Mengqi, Luo, Weiping
J. Chem. Thermodyn. 2019, 129, 73-82
ABSTRACT
In this study, the solubility of dibenzothiophene (DBT) in N,N-dimethylformamide, 2-(2-butoxyethoxy)ethanol, n-propanol, n-octane, diethylene glycol,decahydronaphthalene, sulfolane, dimethyl sulfoxide and acetone, were measured by using the method of dynamic laser at atmospheric pressure. The experimental temperature ranged from 282.75 K to 341.15 K. The results show that within the temperature range studied, the solubility of DBT increased with increasing temperature. The experimental data were correlated by the Apelblat model, lambdah model and the modified non-random two liquid (NRTL) activity coefficient model, and the calculated solubility agree satisfactorily with the measured results. The result of Akaike Information Criterion (AIC) analysis showed that the Apelblat model was the best model to correlate the solubility of DBT in diethylene glycol, n-octane, sulfolane and decahydronaphthalene, the lambdah model was the best model to correlate the solubility of DBT in 2-(2-butoxyethoxy)ethanol and the modified NRTL model was the best model to correlate the solubility of DBT in N,N-dimethylformamide, acetone, dimethyl sulfoxide and n-propanol. Furthermore, the thermodynamic functions including dissolution enthalpy, entropy and Gibbs energy were obtained from the solubility data by using the van't Hoff equation.
Compounds
# Formula Name
1 C12H8S dibenzothiophene
2 C8H18O3 3,6-dioxa-1-decanol
3 C4H10O3 diethylene glycol
4 C2H6OS dimethyl sulfoxide
5 C8H18 octane
6 C4H8O2S sulfolane
7 C3H8O propan-1-ol
8 C3H6O acetone
9 C2H6O ethanol
10 C2H3N acetonitrile
11 C3H7NO dimethylformamide
12 C10H18 cis-decahydronaphthalene
13 C10H18 trans-decahydronaphthalene
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
  • 11
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 11
  • POMD
  • 1
  • 8
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 12
  • POMD
  • 1
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 11
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 12
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 11
  • POMD
  • 1
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 14
  • POMD
  • 1
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 11
  • POMD
  • 1
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 10
  • POMD
  • 1
  • 9
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 10
  • POMD
  • 1
  • 10
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 10
  • POMD
  • 1
  • 12
  • 13
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Solvent: Mole fraction - 12; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 10