ABSTRACT

(Liquid + liquid) equilibrium (LLE) data of the solubility (binodal) curves and tie-line end compositions were examined for mixtures of {water (1) + butyric acid (2) + ethyl propionate or dimethyl phthalate or dibutyl phthalate (3)} at T = 298.15 K and (101.3 +- 0.7) kPa. The relative mutual solubility of the butyric acid is higher in the layers of esters than in the aqueous layer. The reliability of the experimental tie-line data was confirmed by using the Othmer Tobias correlation. The LLE data of the ternary systems were predicted by UNIFAC method. Distribution coefficients and separation factors were evaluated for the immiscibility region.

Compounds

#	Formula	Name
1	H2O	water
2	C4H8O2	butanoic acid
3	C5H10O2	ethyl propanoate
4	C10H10O4	dimethyl 1,2-benzenedicarboxylate
5	C16H22O4	dibutyl phthalate

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	2	Normal boiling temperature, K ; Liquid			Liquid Gas	Distillation	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	VIBTUB:UFactor:8	1
POMD	3	Normal boiling temperature, K ; Liquid			Liquid Gas	Distillation	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	VIBTUB:UFactor:8	1
POMD	4	Normal boiling temperature, K ; Liquid			Liquid Gas	Distillation	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	VIBTUB:UFactor:8	1
POMD	5	Normal boiling temperature, K ; Liquid			Liquid Gas	Distillation	1
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	VIBTUB:UFactor:8	1
POMD	3 2 1	Mass fraction - 2 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 2 ; Liquid mixture 2	Mass fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	CHROM:UFactor:4 CHROM:UFactor:4 CHROM:UFactor:4	6
POMD	3 2 1	Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	21
POMD	2 4 1	Mass fraction - 2 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 2 ; Liquid mixture 2	Mass fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	CHROM:UFactor:4 CHROM:UFactor:4 CHROM:UFactor:4	6
POMD	2 4 1	Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	19
POMD	5 2 1	Mass fraction - 2 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 2 ; Liquid mixture 2	Mass fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	CHROM:UFactor:4 CHROM:UFactor:4 CHROM:UFactor:4	6
POMD	5 2 1	Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	21
POMD	3 1	Mass fraction - 1 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	4 1	Mass fraction - 1 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	5 1	Mass fraction - 1 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

(Liquid + liquid) equilibria of (water + butyric acid + esters) ternary systems

Kirbaslar, S. I., Sahin, S.[Selin], Bilgin, M.[Mehmet]

ABSTRACT