ABSTRACT

This paper reports the densities, refraction indices,and vapor liquid equilibria for binary systems ester + N-methyl-2-hydroxyethylammonium butyrate (m-2-HEAB): methyl acetate (1) + m-2-HEAB (2), ethyl acetate (1) + m-2-HEAB and propyl acetate (1) + m-2-HEAB (2). The excess molar volumes, deviations in the refraction index, apparent molar volumes, and thermal expansion coefficients for the binary systems were fitted to polynomial equations. The Peng-Robinson equation of state, coupled with the Wong-Sandler mixing rule, is used to describe the experimental data. Since the predictive activity coefficient model COSMO-SAC is used in the Wong-Sandler mixing rule, the resulting thermodynamic model is a completely predictive one.The prediction results for the density and for the vapor-liquid equilibria have a deviation lower than 1.0% and 1.1%, respectively.

Compounds

#	Formula	Name
1	C3H6O2	methyl ethanoate
2	C4H8O2	ethyl acetate
3	C5H10O2	propyl ethanoate
4	C7H17NO3	N-methyl-2-hydroxyethylammonium butanoate

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	Vapor or sublimation pressure, kPa ; Liquid	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	8
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	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	6
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	3	Vapor or sublimation pressure, kPa ; Liquid	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	5
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	3
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	1 4	Refractive index (Na D-line) ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	13
POMD	1 4	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	12
POMD	1 4	Mass density, kg/m3 ; Liquid	Mole fraction - 1; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	104
POMD	2 4	Refractive index (Na D-line) ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	13
POMD	2 4	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	31
POMD	2 4	Mass density, kg/m3 ; Liquid	Mole fraction - 2; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	65
POMD	3 4	Refractive index (Na D-line) ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Standard Abbe refractometry	13
POMD	3 4	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	25
POMD	3 4	Mass density, kg/m3 ; Liquid	Mole fraction - 3; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	52

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Density, refraction index and vapor-liquid equilibria of N-methyl-2-hydroxyethylammonium butyrate plus (methyl acetate or ethyl acetate or propyl acetate) at several temperatures

Alvarez, V. H., Mattedi, S., Aznar, M.

ABSTRACT