Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility of l-serine, l-threonine and l-isoleucine in aqueous aliphatic alcohol solutions

Ferreira, L. A.[Luisa A.], Pinho, S. P.[Simao P.], Macedo, E. A.[Eugenia A.]
Fluid Phase Equilib. 2008, 270, 1-2, 1-9
ABSTRACT
The solubilities of l-serine, l-threonine and l-isoleucine in the aqueous systemsof ethanol, 1-propanol and 2-propanolwere measured at 298.15, 313.15 and 333.15Kby means of gravimetric and spectrophotometric ninhydrin based method measurements. In order to represent the solid liquid equilibria in those systems the excess solubility approach was combined with the NRTL, the modified NRTL, the modified UNIQUAC equations and also with the model presented by Gude et al. [M.T. Gude, L.A.M. Wielen, K.Ch.A.M. Luyben, Fluid Phase Equilibr. 116 (1996) 110 117]. Their correlation performance showed global average relative deviations of 15.3, 13.7, 13.4 and 15.8%, respectively, while their application in the prediction of l-threonine solubility in water/ethanol mixed solvent mixtures, at two different temperatures, showed average relative deviations of 18.8, 9.1, 28.9, and 38.4%, respectively.
Compounds
# Formula Name
1 C3H7NO3 L-serine
2 H2O water
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C4H9NO3 L-threonine
7 C6H13NO2 2-amino-3-methylpentanoic 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
  • 2
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Density calibration data
  • 2
  • POMD
  • 1
  • 2
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Density calibration data
  • 1
  • POMD
  • 1
  • 3
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • spectrophotometric ninhydrin method
  • 3
  • POMD
  • 1
  • 4
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • spectrophotometric ninhydrin method
  • 3
  • POMD
  • 1
  • 5
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • spectrophotometric ninhydrin method
  • 3
  • POMD
  • 6
  • 2
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Density calibration data
  • 3
  • POMD
  • 4
  • 6
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • spectrophotometric ninhydrin method
  • 3
  • POMD
  • 5
  • 6
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • spectrophotometric ninhydrin method
  • 3
  • POMD
  • 7
  • 2
  • Mass fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Density calibration data
  • 3
  • POMD
  • 3
  • 7
  • Mass fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • spectrophotometric ninhydrin method
  • 3
  • POMD
  • 4
  • 7
  • Mass fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • spectrophotometric ninhydrin method
  • 3
  • POMD
  • 5
  • 7
  • Mass fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • spectrophotometric ninhydrin method
  • 3
  • POMD
  • 1
  • 3
  • 2
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Density calibration data
  • 11
  • POMD
  • 1
  • 3
  • 2
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • spectrophotometric ninhydrin method
  • 6
  • POMD
  • 1
  • 4
  • 2
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Density calibration data
  • 3
  • POMD
  • 1
  • 4
  • 2
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • spectrophotometric ninhydrin method
  • 10
  • POMD
  • 1
  • 5
  • 2
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Density calibration data
  • 7
  • POMD
  • 1
  • 5
  • 2
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • spectrophotometric ninhydrin method
  • 7
  • POMD
  • 3
  • 6
  • 2
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Density calibration data
  • 12
  • POMD
  • 3
  • 6
  • 2
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • spectrophotometric ninhydrin method
  • 6
  • POMD
  • 4
  • 6
  • 2
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Density calibration data
  • 9
  • POMD
  • 4
  • 6
  • 2
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • spectrophotometric ninhydrin method
  • 6
  • POMD
  • 5
  • 6
  • 2
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Density calibration data
  • 9
  • POMD
  • 5
  • 6
  • 2
  • Mass fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • spectrophotometric ninhydrin method
  • 6
  • POMD
  • 3
  • 7
  • 2
  • Mass fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Density calibration data
  • 13
  • POMD
  • 3
  • 7
  • 2
  • Mass fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • spectrophotometric ninhydrin method
  • 6
  • POMD
  • 4
  • 7
  • 2
  • Mass fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Density calibration data
  • 10
  • POMD
  • 4
  • 7
  • 2
  • Mass fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • spectrophotometric ninhydrin method
  • 6
  • POMD
  • 5
  • 7
  • 2
  • Mass fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Density calibration data
  • 10
  • POMD
  • 5
  • 7
  • 2
  • Mass fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • spectrophotometric ninhydrin method
  • 6