Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane

Cripwell, J. T.[Jamie T.], Schwarz, C. E.[Cara E.], Burger, A. J.[Andries J.]
J. Chem. Eng. Data 2016, 61, 7, 2353-2362
ABSTRACT
Vapor liquid equilibrium (VLE) data were measured for the five binary systems comprising each of the unbranched constitutional isomers of a C6 ester with n-octane at 60.0 kPa. All five systems exhibited strong positive deviations from ideality and minimum boiling azeotropes due to the fundamental differences in the intermolecular forces of each component in the pair, as well as the closeness of the pure component boiling points at the system pressure. Thermodynamic consistency of all data was shown using the Wisniak L/W and McDermott Ellis consistency tests, and the data were correlated and predicted with the NRTL and UNIFAC activity coefficient models, respectively. The data illustrated the role of the location of the polar ester functional group on the phase behavior of respective ester structural isomers with a common second component.
Compounds
# Formula Name
1 C7H16 heptane
2 C4H8O butanone
3 C8H18 octane
4 C6H12O2 methyl pentanoate
5 C6H12O2 ethyl butanoate
6 C6H12O2 propyl propanoate
7 C6H12O2 butyl ethanoate
8 C6H12O2 pentyl methanoate
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 7
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 13
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 13
  • POMD
  • 6
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 11
  • POMD
  • 7
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 13
  • POMD
  • 8
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 14
  • POMD
  • 2
  • 1
  • Mole fraction - 2 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 30
  • POMD
  • 2
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 30
  • POMD
  • 3
  • 4
  • Mole fraction - 4 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 4; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 45
  • POMD
  • 3
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 45
  • POMD
  • 5
  • 3
  • Mole fraction - 5 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 5; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 49
  • POMD
  • 5
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 49
  • POMD
  • 6
  • 3
  • Mole fraction - 6 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 6; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 42
  • POMD
  • 6
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 42
  • POMD
  • 3
  • 7
  • Mole fraction - 7 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 7; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 50
  • POMD
  • 3
  • 7
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 50
  • POMD
  • 3
  • 8
  • Mole fraction - 8 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 8; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 50
  • POMD
  • 3
  • 8
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 50