Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental and theoretical excess molar enthalpies of ternary and binary mixtures containing 2-Methoxy-2-Methylpropane, 1-propanol, heptane

Mato, M. M. , Cebreiro, S. M.[Susana M.], Andrade, M. I. P.[Maria Inmaculada Paz], Legido, J. L.[Jose Luis]
J. Chem. Thermodyn. 2013, 66, 95-101
ABSTRACT
Excess molar enthalpies, at the temperature of 298.15 K and atmospheric pressure, have been measured for the ternary system {x1 2-Methoxy-2-Methylpropane (MTBE) + x2 1-propanol + (1 - x1 - x2) heptane}, over the whole composition range. Also, experimental data of excess molar enthalpy for the involved binary mixture {x 1-propanol + (1 - x) heptane} at the 298.15 K and atmospheric pressure, are reported. We are not aware of any previous experimental measurement of excess enthalpy in the literature for the ternary system presented in this study. Values of the excess molar enthalpies were measured using a Calvet microcalorimeter. The ternary contribution to the excess enthalpy was correlated with the equation due to Morris et al. (1975) [15], and the equation proposed by Myers Scott (1963) [14] was used to fitted the experimental binary mixture measured in this work. Additionally, the experimental results are compared with the estimations obtained by applying the group contribution model of UNIFAC, in the versions of Larsen et al. (1987) [16] and Gmehling et al. (1993) [17]. Several empirical expressions for estimating ternary properties from binary results were also tested.
Compounds
# Formula Name
1 C7H16 heptane
2 C3H8O propan-1-ol
3 C5H12O 2-methoxy-2-methylpropane
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
  • 2
  • 1
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Calvet calorimetry
  • 16
  • POMD
  • 2
  • 1
  • 3
  • Molar enthalpy of mixing with solvent, kJ/mol - 1 ; Liquid
  • Mole fraction - 3; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Calvet calorimetry
  • 44