ABSTRACT

Liquid liquid equilibria at ambient temperature and pressure were measured for four ternary systems: n-hexane + THF +water, nhexane + acetonitrile +water, n-hexane + 1,4-dioxane +water, and ethyl ether + 1,4-dioxane +water. Partitioning of 1-octene and 1-nonanal in these systemswas also measured. The results were modeled with the UNIQUACandNRTL gE models. The experiments showed an aqueous phase in the nhexane THF water system that was 90% water on average, and an organic n-hexane phase in the n-hexane acetonitrile water system that was 96% n-hexane on average. 1,4-Dioxane distributes fairly equally to both phases in the n-hexane 1,4-dioxane water and ethyl ether 1,4-dioxane water systems.

Compounds

#	Formula	Name
1	C6H14	hexane
2	C4H8O2	1,4-dioxane
3	C4H8O	tetrahydrofuran
4	H2O	water
5	C2H3N	acetonitrile
6	C4H10O	diethyl ether

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	3 1 4	Mole fraction - 3 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 3 ; Liquid mixture 2	Mole fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	15
POMD	5 1 4	Mole fraction - 5 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 5 ; Liquid mixture 2	Mole fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	12
POMD	1 2 4	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 2; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	11
POMD	6 2 4	Mole fraction - 6 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 6 ; Liquid mixture 1	Mole fraction - 2; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	12

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid liquid equilibria and partitioning in organic aqueous systems

Robbins, G. P.[Gregory P.], Hallett, J. P.[Jason P.], Bush, D.[David], Eckert, C. A.[Charles A.]

ABSTRACT