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

Solubility of Parabens in Subcritical Water

Kapalavavi, B.[Brahmam], Ankney, J.[John], Baucom, M.[Matthew], Yang, Y.[Yu]
J. Chem. Eng. Data 2014, 59, 3, 912-916
ABSTRACT
The solubility of methyl, ethyl, and butyl parabens (4-hydroxybenzoate) in water was determined at (298, 373, 423, and 473) K using a homemade heating/mixing system and by high performance liquid chromatography analysis. The solubility increased for all three parabens studied when water temperature was raised from 298 K to 423 K. However, the solubility decreased with a further temperature increase from 423 K to 473 K. This was due to the degradation of parabens at 473 K as revealed by a separate study. A new model was developed to guide the estimation of paraben solubility in subcritical water. The solubility values predicted using this new model compare reasonably well with our experimental values.
Compounds
# Formula Name
1 C8H8O3 methyl 4-hydroxybenzoate
2 C9H10O3 ethyl 4-hydroxybenzoate
3 C11H14O3 butyl 4-hydroxybenzoate
4 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
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Spectroscopy
  • 2
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Spectroscopy
  • 1
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Spectroscopy
  • 2
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Spectroscopy
  • 1
  • POMD
  • 3
  • 4
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Spectroscopy
  • 1
  • POMD
  • 3
  • 4
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Spectroscopy
  • 2