ABSTRACT

The vapor pressure of four liquid 1H,1H-perfluoroalcohols (CF3(CF2)n(CH2)OH, n = 1, 2, 3, 4), often called odd-fluorotelomer alcohols, was measured as a function of temperature between 278 K and 328 K. Liquid densities were also measured for a temperature range between 278 K and 353 K. Molar enthalpies of vaporization were calculated from the experimental data. The results are compared with data from the literature for other perfluoroalcohols as well as with the equivalent hydrogenated alcohols. The results were modeled and interpreted using molecular dynamics simulations and the GC-SAFT-VR equation of state.

Compounds

#	Formula	Name
1	C3H3F5O	2,2,3,3,3-pentafluoropropanol
2	C4H3F7O	2,2,3,3,4,4,4-heptafluorobutanol
3	C5H3F9O	2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol
4	C6H3F11O	2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-ol

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	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid		Liquid Gas	Derived by Second law	1
POMD	1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	7
POMD	1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	76
POMD	2	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid		Liquid Gas	Derived by Second law	1
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	11
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	76
POMD	3	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid		Liquid Gas	Derived by Second law	1
POMD	3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	11
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	76
POMD	4	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid		Liquid Gas	Derived by Second law	1
POMD	4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	11
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	71

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Vapor pressure and liquid density of fluorinated alcohols: experimental, simulation and GC-SAFT-VR predictions

Silva, G. M. C.[Goncalo M. C.], Morgado, P.[Pedro], Haley, J. D.[Jessica D.], Montoya, V. M. T.[Victor Manuel Trejos], McCabe, C.[Clare], Martins, L. F. G.[Luis F. G.], Filipe, E. J. M.[Eduardo J. M.]

ABSTRACT