Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermophysical properties of oxygenated thiophene derivatives: Experimental data and modelling

Anton, V.[Victor], Munoz-Embid, J.[Jose], Artigas, H.[Hector], Artal, M.[Manuela], Lafuente, C.[Carlos]
J. Chem. Thermodyn. 2017, 113, 330-339
ABSTRACT
In this paper, the thermophysical properties of 2-thiophenemethanol and 2- thiophenecarboxaldehyde have been studied: vapour pressures; densities in a wide pressure range; and speeds of sound, refractive indices, surface tensions and kinematic viscosities at atmospheric pressure. From these values, the isobaric expansibility, the isothermal and isentropic compressibilities, the internal pressure, the molar refraction and the dynamic viscosity are obtained. Both experimental and calculated data were used to evaluate the different molecular organization in the two fluids. The results show an H-bond network and a higher intermolecular free volume for the alcohol derivative. Moreover, we have obtained the parameters of the PC-SAFT equation of state for the studied compounds as well as the influence parameter in the Density Gradient Theory. The obtained average mean relative deviations for the correlated properties were: MRD(pv) = 1.78%, MRD(rho) = 0.25%, MRD(u) = 15%, and MRD(sigma) = 0.12%.
Compounds
# Formula Name
1 C5H6OS 2-thiophenemethanol
2 C5H4OS 2-thiophenealdehyde
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)
  • 37
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 192
  • POMD
  • 1
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 23
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 23
  • POMD
  • 1
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Drop volume
  • 23
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 23
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 23
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 41
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 192
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 23
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 23
  • POMD
  • 2
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Air at 1 atmosphere
  • Drop volume
  • 23
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 23
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 23