ABSTRACT

Octan-1-ol, acetophenone, ethyl butanoate (ethyl butyrate), ethyl pentanoate (ethyl valerate), and 1,3-diethyl propanedioate (diethyl malonate) were used as solvents for determining the ternary liquid phase diagrams of aqueous mixtures consisting butyric acid, with the intention of bringing more effective and environmental friendly solvents into use. The liquid-liquid equilibrium (LLE) data for water + butyric acid + solvent ternary systems were investigated at 298.15 K and atmospheric pressure. The ternary phase diagrams composed of solubility data and tie-lines were presented graphically. The reliability of the experimental tie-lines was tested by Othmer-Tobias correlation. The experimental tie-line data were compared with the results correlated by means of UNIQUAC model, and predicted by the UNIFAC method. It is concluded that the used solvents may be adequate extractants to extract butyric acid from its dilute aqueous solutions.

Compounds

#	Formula	Name
1	C4H8O2	butanoic acid
2	C8H18O	octan-1-ol
3	C8H8O	acetophenone
4	C6H12O2	ethyl butanoate
5	C7H14O2	ethyl pentanoate
6	C7H12O4	diethyl 1,3-propanedioate
7	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	Normal boiling temperature, K ; Liquid			Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2	Normal boiling temperature, K ; Liquid			Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	2	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	3	Normal boiling temperature, K ; Liquid			Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	3	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	4	Normal boiling temperature, K ; Liquid			Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	4	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	5	Normal boiling temperature, K ; Liquid			Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	6	Normal boiling temperature, K ; Liquid			Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	6	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	7	Normal boiling temperature, K ; Liquid			Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	7	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	1 2 7	Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 2	Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	7
POMD	3 1 7	Mole fraction - 3 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 3 ; Liquid mixture 2	Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	7
POMD	4 1 7	Mole fraction - 4 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 2	Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	6
POMD	1 5 7	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 5 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 5; Liquid mixture 2	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	7
POMD	6 1 7	Mole fraction - 6 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 6 ; Liquid mixture 2	Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	6

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Ternary phase diagrams for aqueous mixtures of butyric acid with several solvents: experimental and correlated data

Lalikoglu, M.[Melisa], Bilgin, M.[Mehmet]

ABSTRACT