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

Solubility Modeling of 4-(Methylsulfonyl)benzaldehyde in Nine Organic Solvents at Elevated Temperatures

Cong, Y.[Yang], Du, C.[Cunbin], Han, S.[Shuo], Xu, J.[Jian], Meng, L.[Long], Wang, J.[Jian], Zhao, H.[Hongkun]
J. Chem. Eng. Data 2016, 61, 4, 1657-1666
ABSTRACT
The binary solid-liquid phase equilibrium for 4-(methylsulfonyl)benzaldehyde in methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, acetone, acetonitrile, toluene and acetic acid were studied experimentally within the temperatures range from (283.15 to 318.15) K under 101.3 kPa by using a static equilibrium method. With the increase in temperature, the solubility of 4-(methylsulfonyl)benzaldehyde in these solvents increased. The solubility values from high to low obeyed the following order in different solvents: acetone greater than acetonitrile greater than acetic acid greater than methanol greater than ethanol greater than toluene greater than 1-butanol greater than 1-propanol greater than 2-propanol. The modified Apelblat equation, eh equation, Wilson model and NRTL model were employed to correlate the experimental solubility of 4-(methylsulfonyl)benzaldehyde in the nine solvents. The calculated solubility with the modified Apelblat equation provided better agreement than those with the other three models. Generally, the regressed results by the four thermodynamic models could be acceptable for 4-(methylsulfonyl)benzaldehyde in the studied solvents. The acquired solubility data could provide a theoretical basis for purification of crude 4-(methylsulfonyl)benzaldehyde
Compounds
# Formula Name
1 C8H8O3S 4-(methylsulfonyl)benzaldehyde
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C4H10O butan-1-ol
7 C3H6O acetone
8 C2H3N acetonitrile
9 C7H8 toluene
10 C2H4O2 acetic acid
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
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • Solid-liquid equilibrium temperature, K ; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Liquid
  • DTA
  • 1
  • POMD
  • 8
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 9
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 10
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 15