Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase equilibria on five binary systems containing 1-butanethiol and 3-methylthiophene in hydrocarbons

Sapei, E.[Erlin], Uusi-Kyyny, P.[Petri], Keskinen, K. I.[Kari I.], Pokki, J. -P.[Juha-Pekka], Alopaeus, V.[Ville]
Fluid Phase Equilib. 2010, 293, 2, 157-163
ABSTRACT
Isothermal vapor-liquid equilibrium (VLE) of the following systems was measured with a recirculation still: 1-butanethiol + methylcyclopentane at 343.15 K, 1-butanethiol + 2,2,4-trimethylpentane at 368.15 K, 3-methylthiophene + toluene at 383.15 K, 3-methylthiophene + o-xylene at 383.15 K, and 3-methylthiophene + 1,2,4-trimethylbenzene at 383.15 K. 1-Butanethiol + methylcyclopentane and 1-butanethiol + 2,2,4-trimethylpentane systems exhibit positive deviation from Raoult's law, whereas systems containing 3-methylthiophene in aromatic hydrocarbons exhibit only slight positive deviation from Raoult's law. A maximum pressure azeotrope was found in the system 1-butanethiol + 2,2,4-trimethylpentane (x1 = 0.548, P = 100.65 kPa, T = 368.15 K). The experimental results were correlated with the Wilson model and compared with original UNIFAC and COSMO-SAC predictive models. Raoult's law can be used to describe the behavior of 3-methylthiophene in aromatic hydrocarbons at the experimental conditions in this work. Liquid and vapor-phase composition were determined with gas chromatography. All measured data sets passed the thermodynamic consistency tests applied. The activity coefficients at infinite dilution are also presented.
Compounds
# Formula Name
1 C4H10S 1-butanethiol
2 C5H6S 3-methylthiophene
3 C6H12 methylcyclopentane
4 C8H18 2,2,4-trimethylpentane
5 C7H8 toluene
6 C8H10 1,2-dimethylbenzene
7 C9H12 1,2,4-trimethylbenzene
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)
  • 9
  • POMD
  • 7
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 10
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 11
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 11
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 17
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 17
  • POMD
  • 5
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 12
  • POMD
  • 5
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 12
  • POMD
  • 6
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 11
  • POMD
  • 6
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 11
  • POMD
  • 7
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 11
  • POMD
  • 7
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 11