ABSTRACT

In this study, liquid liquid equilibrium (LLE) values for the (water + butyric acid + n-hexane) and (water + butyric acid + n-hexanol) ternary systems were experimentally obtained at T = (298.2, 308.2, and 318.2) K and atmospheric pressure for the first time. The cloud point method was used to determine the solubility data. The concentration of each phase was determined by acidimetric titration, the Karl- Fischer technique, and refractive index measurements. Both the ternary systems exhibit type-1 behaviour of LLE. The experimental tie-line data were correlated using the UNIQUAC and NRTL models. The Othmer Tobias and the Hand correlation equations were used to check the consistency of the obtained tie-line data for each system. Distribution coefficients and separation factors were calculated over the immiscibility regions. Finally, the Katritzky LSER multi-parameter equation was used to correlate the separation factors.

Compounds

#	Formula	Name
1	C4H8O2	butanoic acid
2	C6H14	hexane
3	C6H14O	hexan-1-ol
4	H2O	water

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	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	1 2 4	Mass fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 4; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	cloud point titration	87
POMD	1 2 4	Mass fraction - 4 ; Liquid mixture 2 Mass fraction - 4 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 1; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Karl-Fischer titration Karl-Fischer titration Karl-Fischer titration	18
POMD	1 3 4	Mass fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 4; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	cloud point titration	84
POMD	1 3 4	Mass fraction - 4 ; Liquid mixture 1 Mass fraction - 4 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2 Mass fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	karl-Fischer titration karl-Fischer titration karl-Fischer titration	18

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Ternary liquid liquid equilibrium data for the (water + butyric acid + n-hexane or n-hexanol) systems at T = (298.2, 308.2, and 318.2) K

Gilani, A. G., Gilani, H. G., Saadat, S. L. S., Janbaz, M.

ABSTRACT