Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

(Liquid + liquid) equilibrium in binary systems of isomeric C8 aliphatic monoethers with acetonitrile and its interpretation by the COSMO-SAC model

Reda, M.[Mateusz], Ruszczynski, L.[Lukasz], Glinski, M.[Marek], Hofman, T.[Tadeusz]
J. Chem. Thermodyn. 2015, 85, 42-48
ABSTRACT
The (liquid + liquid) solubility curves have been determined by a synthetic method for six binary mixtures of [acetonitrile + {heptyl methyl ether CH3OnC7H15, or ethyl hexyl ether C2H5OnC6H13, or pentyl propyl ether nC3H7OnC5H11, or isopentyl propyl ether nC3H7Oi C5H11, or dibutyl ether nC4H9OnC4H9, or butyl isobutyl ether nC4H9OiC4H9}]. The possibility of the COSMO-SAC model to account for the thermodynamic differences between these systems has been tested and the discussion on the influence of screening charge of ethers on the system properties was undertaken.
Compounds
# Formula Name
1 C2H3N acetonitrile
2 C8H18O dibutyl ether
3 C8H18O 1-methoxyheptane
4 C8H18O 1-ethoxyhexane
5 C8H18O 1-propoxypentane
6 C8H18O butyl isobutyl ether
7 C8H18O 3-methyl-1-propoxybutane
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
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 27
  • POMD
  • 1
  • 3
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 10
  • POMD
  • 1
  • 4
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 22
  • POMD
  • 1
  • 5
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 25
  • POMD
  • 1
  • 6
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 25
  • POMD
  • 1
  • 7
  • Liquid-liquid equilibrium temperature, K ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • VISOBS
  • 23