Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Quaternary liquid-liquid equilibrium, solubility and critical states: Acetic acid - n-butanol - n-butyl acetate - water at 318.15 K and atmospheric pressure

Smirnov, Alexander, Sadaeva, Anna, Podryadova, Kristina, Toikka, Maria
Fluid Phase Equilib. 2019, 493, 102-108
ABSTRACT
Experimental data on solubility, critical states and liquid-liquid equilibrium (LLE) for the quaternary system acetic acid - n-butanol - n-butyl acetate - water and ternary subsystems acetic acid - n-butanol - water, n-butanol - n-butyl acetate - water and acetic acid - n-butyl acetate - water were obtained at 318.15 K and at atmospheric pressure. The solubility and critical states were studied by isothermal titration method ("cloud-point technique"). The LLE was determined using gas chromatographic analysis. Binodal surface in quaternary system and binodal curves in ternary systems were constructed. Compositions of critical points (plait points) and critical curve were determined. The NRTL model was applied to calculate the LLE data for the quaternary and ternary systems. The results of NRTL modeling are in good agreement with the experimental data.
Compounds
# Formula Name
1 C2H4O2 acetic acid
2 C4H10O butan-1-ol
3 C6H12O2 butyl ethanoate
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
  • 2
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 17
  • POMD
  • 1
  • 2
  • 4
  • Critical temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Visual observation in a stirred cell
  • 1
  • POMD
  • 1
  • 2
  • 4
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 3
  • POMD
  • 2
  • 3
  • 4
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 15
  • POMD
  • 2
  • 3
  • 4
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 4
  • POMD
  • 1
  • 3
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 3; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Titration method
  • 19
  • POMD
  • 1
  • 3
  • 4
  • Critical temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Visual observation in a stirred cell
  • 1
  • POMD
  • 1
  • 3
  • 4
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 6
  • 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
  • Chromatography
  • 1
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 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
  • Chromatography
  • 1
  • POMD
  • 3
  • 4
  • Mole fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1