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

Propylthiouracil Solubility in Aqueous Solutions of Ethylene Glycol, N,N-Dimethylformamide, N-Methyl-2-pyrrolidone, and Dimethylsulfoxide: Measurement and Thermodynamic Modeling

Yin, H.[Hao], Zhao, H.[Hongkun], Zhao, Y.[Youhua]
J. Chem. Eng. Data 2019, 64, 6, 2836-2842
ABSTRACT
Solubility values of propylthiouracil dissolved in four neat solvents of N,N-dimethylformamide (DMF), N-methyl-2-pyrrolidone (NMP), ethylene Glycol (EG) and dimethylsulfoxide (DMSO) and aqueous cosolvent mixtures of DMF (1) + water (2), NMP (1) + water (2), EG (1) + water (2) and DMSO (1) + water (2) at temperature range from (293.15 to 333.15) K was reported. The determination was made by using the saturation shake-flask method under 101.1 kPa. At the same composition of DMF, NMP, EG or DMSO and temperature, the mole fraction solubility of propylthiouracil was highest in DMF (DMSO) (1) + water (2) mixtures, and lowest in EG (1) + water (2) mixtures. Using the Apelblat-Jouyban-Acree model, van't Hoff-Jouyban-Acree model, and Jouyban-Acree model, propylthiouracil solubility was well correlated acquiring relative average deviation lower than 3.01 % and root-mean-square deviation lower than 9.7510-4.
Compounds
# Formula Name
1 C7H10N2OS 6-propyl-2-thiouracil
2 C3H7NO dimethylformamide
3 C5H9NO N-methylpyrrolidone
4 C2H6O2 1,2-ethanediol
5 C2H6OS dimethyl sulfoxide
6 H2O water
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
  • 2
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 90
  • POMD
  • 1
  • 3
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 90
  • POMD
  • 1
  • 4
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 90
  • POMD
  • 1
  • 5
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 90
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9