Journal of Chemical Thermodynamics, Vol.113, 330-339, 2017
Thermophysical properties of oxygenated thiophene derivatives: Experimental data and modelling
In this paper, the thermophysical properties of 2-thiophenemethanol and 2-thiophenecarboxaldehyde have been studied: vapour pressures; densities over a wide pressure range; and speeds of sound, refractive indices, surface tension 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 results 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(p(v)) = 1.78%, MRD(rho) = 0.25%, MRD(u) = 15%, and MRD(sigma) = 0.12%. (C) 2017 Elsevier Ltd.