ABSTRACT

Liquid-liquid equilibrium (LLE) data including solubility curves and tie-line compositions were measured for mixtures of water (1) + formic acid (2) + dimethyl succinate or dimethyl glutarate or dimethyl adipate (3) at T = 298.2 K and atmospheric pressure, p = (101.3 +- 0.7) kPa. The relative mutual solubility of the formic acid is higher in the aqueous phase than in the dibasic ester phases. 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 and modified UNIFAC methods. Distribution coefficients and separation factors were evaluated for the immiscibility region.

Compounds

#	Formula	Name
1	H2O	water
2	CH2O2	formic acid
3	C6H10O4	dimethyl 1,4-butanedioate
4	C7H12O4	dimethyl pentanedioate
5	C8H14O4	dimethyl 1,6-hexanedioate

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:6	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:6	1
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	5	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Distillation	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	VIBTUB:UFactor:6	1
POMD	2 3 1	Mass fraction - 2 ; Liquid mixture 1 Mass fraction - 2 ; Liquid mixture 2 Mass fraction - 1 ; 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	Chromatography Chromatography Chromatography	3
POMD	2 3 1	Mass fraction - 3 ; 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	7
POMD	2 4 1	Mass fraction - 2 ; Liquid mixture 1 Mass fraction - 2 ; Liquid mixture 2 Mass fraction - 1 ; 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	Chromatography Chromatography Chromatography	4
POMD	2 4 1	Mass fraction - 4 ; 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	8
POMD	2 5 1	Mass fraction - 2 ; Liquid mixture 1 Mass fraction - 2 ; Liquid mixture 2 Mass fraction - 1 ; 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	Chromatography Chromatography Chromatography	4
POMD	2 5 1	Mass fraction - 5 ; 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	11
POMD	3 1	Mass fraction - 3 ; 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 - 4 ; 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 - 5 ; 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 and Engineering Data

Liquid-Liquid Equilibria for Ternary Systems of Water + Formic Acid + Dibasic Esters

Ince, E.[Erol], Kirbaslar, S. I., Sahin, S.[Selin]

ABSTRACT