Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubility and phase separation of 4-morpholinepropanesulfonic acid (MOPS), and 3-morpholino-2-hydroxypropanesulfonic acid (MOPSO) in aqueous 1,4-dioxane and ethanol solutions

Taha, M.[Mohamed], Lee, M. J.[Ming-Jer]
J. Chem. Thermodyn. 2011, 43, 11, 1723-1730
ABSTRACT
The buffers 4-morpholinepropanesulfonic acid (MOPS) and 3-morpholino-2-hydroxypropanesulfonic acid (MOPSO) are useful biological zwitterionic buffers within the pH range of 6.5 to 7.9 and 6.2 to 7.6, respectively. The solubilities of these buffers were determined in binary mixtures (1,4-dioxane + water) and (ethanol + water) at T = 298.15 K by using the results of density measurements. It has been observed that MOPS induced liquid-liquid phase splitting for the mixtures of 40% to 90% (w/w) 1,4-dioxane in water. The two-liquid phase formation was visualized with disperse orange 25. The phase equilibrium boundaries, including the regions of one liquid, two liquids, (one liquid + one solid) and (two liquids + one solid), for the (MOPS + water + 1,4-dioxane) system have been determined experimentally at T = 298.15 K. The tie lines of the (liquid + liquid) equilibrium were also measured. The Othmer-Tobias and Bancroft equation were used to evaluate the reliability of the tie-line data. The binodal curve was fitted to an empirical equation and the effective excluded volume (EEV) model. The apparent free energies of transfer of MOPS and MOPSO from water to 1,4-dioxane and ethanol solutions have been calculated from the solubility data. These apparent free energies of transfer values were compared with those of some related biological buffers (TRIS, TAPS, TAPSO, and TABS). Furthermore, we also calculated the contribution of transfer free energies of -OH group from water to 1,4-dioxane and ethanol solutions.
Compounds
# Formula Name
1 H2O water
2 C7H15NO4S 4-morpholinepropanesulfonic acid
3 C7H15NO5S 3-morpholino-2-hydroxypropanesulfonic acid
4 C4H8O2 1,4-dioxane
5 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
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 4
  • 1
  • 3
  • Molality, mol/kg - 3 ; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Crystal - 3
  • visual
  • 9
  • POMD
  • 4
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Vibrating tube method
  • 9
  • POMD
  • 4
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 56
  • POMD
  • 5
  • 1
  • 3
  • Molality, mol/kg - 3 ; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Crystal - 3
  • visual
  • 9
  • POMD
  • 5
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Vibrating tube method
  • 9
  • POMD
  • 5
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 59
  • POMD
  • 5
  • 2
  • 1
  • Molality, mol/kg - 2 ; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Crystal - 2
  • visual
  • 10
  • POMD
  • 5
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Vibrating tube method
  • 10
  • POMD
  • 5
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Solvent: Mass fraction - 5; Liquid
  • Molality, mol/kg - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 70
  • POMD
  • 4
  • 2
  • 1
  • Molality, mol/kg - 2 ; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Crystal - 2
  • visual
  • 4
  • POMD
  • 4
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Vibrating tube method
  • 4
  • POMD
  • 4
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Molality, mol/kg - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 24