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

Measurements of the Excess Properties and Vapor-Liquid Equilibria at 101.32 kPa for Mixtures of Ethyl Ethanoate + Alkanes (from C5 to C10)

Fernandez, L.[Luis], Perez, E.[Estefania], Ortega, J.[Juan], Canosa, J.[Jose], Wisniak, J.[Jaime]
J. Chem. Eng. Data 2010, 55, 12, 5519-5533
ABSTRACT
This work presents experimental values for the excess volumes (VmE) at 291.15, 298.15, 318.15, and 328.15 K; excess enthalpies (HmE) at 291.15, 298.15, and 318.15 K; and vapor-liquid equilibria (VLE) at 101.32 kPa for mixtures of ethyl ethanoate with each of six alkanes (from pentane to decane). The results for the six mixtures show that the thermal coefficient (?VmE/?T)p is positive and that (?HmE/?T)p presents changes in the sign. The Fredenslund method was applied to establish the thermodynamic consistency of the VLE data. Of the six systems considered here, only two, ethyl ethanoate + hexane and ethyl ethanoate + heptane, form minimum-boiling azeotropes, with coordinates (xaz, Taz/K) of (0.339, 338.15) and (0.834, 349.99), respectively. Simultaneous correlations carried out with the VLE and HmE data using a polynomic model with temperature-dependent coefficients were found to be acceptable. Application of two different versions of the UNIFAC model for the VLE data, one by Hansen et al. (Ind. Eng. Chem. Res. 1991, 30, 2355) and the other by Gmehling et al. (Ind. Eng. Chem. Res. 1993, 32, 178), gave similar estimations for the six systems, which we consider to be acceptable. The second method gave good predictions of HmE.
Compounds
# Formula Name
1 C4H8O2 ethyl acetate
2 C6H14 hexane
3 C7H16 heptane
4 C8H18 octane
5 C9H20 nonane
6 C10H22 decane
7 C5H12 pentane
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)
  • 63
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 84
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 61
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 61
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 71
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 6
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 74
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 4
  • POMD
  • 7
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 1
  • POMD
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 2
  • POMD
  • 7
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 25
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 25
  • POMD
  • 7
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 15
  • POMD
  • 7
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 37
  • POMD
  • 2
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:3
  • 24
  • POMD
  • 2
  • 1
  • Azeotropic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By T(X) extreme
  • 1
  • POMD
  • 2
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 24
  • POMD
  • 2
  • 1
  • Azeotropic composition: mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 2
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 52
  • POMD
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 75
  • POMD
  • 1
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 31
  • POMD
  • 1
  • 3
  • Azeotropic temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By T(X) extreme
  • 1
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 31
  • POMD
  • 1
  • 3
  • Azeotropic composition: mole fraction - 1 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 1
  • POMD
  • 1
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 16
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 79
  • POMD
  • 4
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 27
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 27
  • POMD
  • 4
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 53
  • POMD
  • 4
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 77
  • POMD
  • 5
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:4
  • 26
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 26
  • POMD
  • 5
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 18
  • POMD
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 74
  • POMD
  • 6
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:8
  • 21
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Density calibration data
  • 21
  • POMD
  • 6
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calvet calorimetry
  • 53
  • POMD
  • 6
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 76