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

Solubilities in Water of Uracil and Its Halogenated Derivatives

Szterner, P.
J. Chem. Eng. Data 2008, 53, 8, 1738-1744
ABSTRACT
The solubilities of crystalline compounds, uracil, 5-fluorouracil, 5-chlorouracil, 6-chlorouracil, 5-bromouracil, 5-iodouracil, and 5-(trifluoromethyl)uracil, in water have been determined at 25 deg C by the isothermal saturation method. The molar standard Gibbs energies (AsolGm o ) and the molar entropies of solution (AsolSm o ) were determined on the basis of the solubilities and previously determined molar enthalpies of solution (AsolHm o ). The thermodynamic parameters of sublimation (AsubGm o , AsubSm o ) were calculated from the previously determined molar enthalpies of sublimation AsubHm o . The values obtained were used for calculation of the thermodynamic parameters of solvation (AsolvGm o , AsolvSm o ). The thermodynamic functions of solvation and solution were correlated with the values of the surface-accessible areas, the partial molar volumes V2 o , the molecular volumes V2 M, and the parameters of the compounds investigated.
Compounds
# Formula Name
1 H2O water
2 C4H4N2O2 2,4(1H,3H)-pyrimidinedione
3 C4H3FN2O2 5-fluoro-2,4(1H,3H)-pyrimidinedione
4 C4H3ClN2O2 5-chloro-2,4-pyrimidinedione
5 C4H3ClN2O2 6-chlorouracil
6 C4H3IN2O2 5-iodouracil
7 C5H3F3N2O2 5-(trifluoromethyl)uracil
8 C4H3BrN2O2 5-bromouracil
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
  • 2
  • 1
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • UV spectra
  • 1
  • POMD
  • 3
  • 1
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • UV spectra
  • 1
  • POMD
  • 4
  • 1
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • UV spectra
  • 1
  • POMD
  • 5
  • 1
  • Mole fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • UV spectra
  • 1
  • POMD
  • 6
  • 1
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • UV spectra
  • 1
  • POMD
  • 7
  • 1
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • UV spectra
  • 1
  • POMD
  • 8
  • 1
  • Mole fraction - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 8
  • UV Spectra
  • 1