Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Vapor liquid equilibria in the ternary system isobutyl alcohol + isobutyl acetate + butyl propionate and the binary systems isobutyl alcohol + butyl propionate, isobutyl acetate + butyl propionate at 101.3 kPa

Munoz, R., Monton, J. B., Burguet, M. C., de la Torre, J.
Fluid Phase Equilib. 2005, 238, 1, 65-71
ABSTRACT
Consistent vapor liquid equilibrium (VLE) data at 101.3 kPa have been determined for the ternary system isobutyl alcohol (IBA) + isobutyl acetate (IBAc) + butyl propionate (BUP) and two constituent binary systems: IBA+BUP and IBAc +BUP. The IBA+BUP system show lightly positive deviation from Raoult s law and IBAc +BUP system exhibits no deviation from ideal behaviour. The activity coefficients of the solutions were correlated with its composition by the Wilson, NRTL, UNIQUAC models. The ternary system is very well predicted from binary interaction parameters. BUP eliminates the IBA IBAc binary azeotrope. The change of phase equilibria behaviour is significant therefore this solvent seems to be an effective agent for that azeotrope mixture separation. In fact, the mean relative volatility on a solvent free basis is 1.8. The binaryVLEdata measured in the present study passed the thermodynamic consistency test of Fredenslund et al. [A. Fredenslund, J. Gmehling, P. Rasmussen, Vapor Liquid Equilibria Using UNIFAC, A Group Contribution Method, Elsevier, Amsterdam, 1977], and were correlated by the Wilson, NRTL and UNIQUAC models to relate activity coefficients with mole fractions. The VLE data obtained for the ternary system passed both the Wisniak L W [J. Wisniak, Ind. Eng. Chem. Res. 32 (1993) 1531 1533] and McDermott Ellis [C. McDermott, S.R. Ellis, Chem. Eng. Sci. 20 (1965) 293 296] consistency test. The parameters obtained from binary data were utilized directly to predict the phase behaviour of the ternary system. The results showed an excellent agreement with experimental values.
Compounds
# Formula Name
1 C4H10O 2-methyl-1-propanol
2 C6H12O2 2-methylpropyl ethanoate
3 C7H14O2 butyl propanoate
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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 29
  • POMD
  • 1
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 21
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • 21
  • POMD
  • 2
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 21
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • 21
  • POMD
  • 1
  • 2
  • 3
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2 ; Liquid
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Gas
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • CHROM:UFactor:4
  • 42