Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Buffer interactions: Solubilities and transfer free energies of TRIS, TAPS, TAPSO, and TABS from water to aqueous ethanol solutions

Taha, M.[Mohamed], Lee, M. J.[Ming-Jer]
Fluid Phase Equilib. 2010, 289, 2, 122-128
ABSTRACT
Tris(hydroxymethyl)aminomethane (TRIS), N-[tris(hydroxymethyl)methyl]-3-aminopropanesulfonic acid (TAPS), N-[tris(hydroxymethyl)methyl]-3-amino-2-hydroxypropane sulfonic acid (TAPSO), and Ntris[ hydroxymethyl]-4-amino-butanesulfonic acid (TABS), are useful for pH control as standard buffers in the physiological region of pH 7.0 to 9.5 for TRIS, 7.7 to 9.1 for TAPS, 7.0 to 8.2 for TAPSO, and 8.2 to 9.5 for TABS, respectively. These buffers are structurally related and contain at least TRIS groups. Densities of these buffers in binary ethanol + water solvent mixtures have been measured by a high precision vibrating tube digital densitometer at 298.15 K under atmospheric pressure. From these data, the solubilities of these buffers in water + ethanol mixed solvents have been determined at 298.15 K. The solubility data were further used to calculate the apparent transfer free energy (delta G_tr) of these buffers from water to a mixed solvent of ethanol and water at 298.15 K. The contributions of the transfer free energies from various functional groups were estimated from (delta G_tr ) of the mixtures containing the buffers with different molecular structures.
Compounds
# Formula Name
1 C4H11NO3 2-amino-2-(hydroxymethyl)-1,3-propanediol
2 C7H17NO6S 3-[tris(hydroxymethyl)methylamino]-1-propanesulfonic acid
3 C7H17NO7S N-[tris(hydroxymethyl)methyl]-3-amino-2-hydroxypropane sulfonic acid
4 C8H19NO6S N-tris(Hydroxymethyl)methyl-4-aminobutanesulfonic acid
5 H2O water
6 C2H6O ethanol
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
  • 6
  • 1
  • 5
  • Molality, mol/kg - 1 ; Liquid
  • Mass fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Synthetic method
  • 11
  • POMD
  • 6
  • 1
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 348
  • POMD
  • 6
  • 5
  • 2
  • Molality, mol/kg - 2 ; Liquid
  • Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Crystal - 2
  • Synthetic method
  • 9
  • POMD
  • 6
  • 5
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 288
  • POMD
  • 6
  • 5
  • 3
  • Molality, mol/kg - 3 ; Liquid
  • Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Crystal - 3
  • Synthetic method
  • 7
  • POMD
  • 6
  • 5
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 152
  • POMD
  • 6
  • 5
  • 4
  • Molality, mol/kg - 4 ; Liquid
  • Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Crystal - 4
  • Synthetic method
  • 9
  • POMD
  • 6
  • 5
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mass fraction - 6; Liquid
  • Molality, mol/kg - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 264