Vapor pressures and thermophysical properties of selected hexenols and recommended vapor pressure for hexan-1-ol

0464699 - FZÚ 2017 RIV NL eng J - Journal Article
Štejfa, V. - Fulem, Michal - Růžička, K. - Matějka, P.
Vapor pressures and thermophysical properties of selected hexenols and recommended vapor pressure for hexan-1-ol.
Fluid Phase Equilibria. Roč. 402, Sep (2015), 18-29. ISSN 0378-3812. E-ISSN 1879-0224
Institutional support: RVO:68378271
Keywords : alcohols * vapor pressure * heat capacity * ideal-gas thermodynamic properties * vaporization enthalpy
Subject RIV: BJ - Thermodynamics
Impact factor: 1.846, year: 2015

A thermodynamic study of selected unsaturated alcohols, cis-hex-3-en-1-ol, trans-hex-2-en-1-ol, and hex-1-en-3-ol, together with hexan-1-ol, is presented. The vapor pressure measurements were performed using the static method over the temperature range from 238-308 K. Liquid heat capacities were measured by Tian-Calvet calorimetry in the temperature interval from 258-355 K and were extended by controlled extrapolation by differential scanning calorimetry toward the normal boiling point temperatures. The phase behavior was investigated by DSC from 183 K. The thermodynamic properties in the ideal-gas state were calculated by combining statistical thermodynamics and density functional theory calculations. Scaling factors were evaluated based on measured Raman and IR spectra. Calculated ideal-gas heat capacities and experimental data on vapor pressures, condensed phase heat capacities, and vaporization enthalpies were treated simultaneously to obtain a consistent thermodynamic description.

Permanent Link: http://hdl.handle.net/11104/0263491