ABSTRACT

This paper presents the experimental excess properties and obtained at different temperatures and the vapor-liquid equilibrium values at 101.32 kPa for four binary mixtures composed of four ethyl esters (methanoate to butanoate) and tert-butyl alcohol. A point-to-point test applied to the equilibrium values indicated that the systems studied were consistent. The binary mixture ethyl ethanoate + tert-butyl alcohol exhibits an azeotropic point at xaz = 0.832 and T = 349.59 K. All values were correlated using a new equation with temperature-dependent coefficients fitting simultaneously the vapor-liquid equilibria and values. Good fits were obtained in all cases. Application of a modified version of the UNIFAC model to the mixtures containing a tertiary alkanol yielded rather poor estimates.

Compounds

#	Formula	Name
1	C4H10O	2-methylpropan-2-ol
2	C3H6O2	ethyl methanoate
3	C4H8O2	ethyl acetate
4	C5H10O2	ethyl propanoate
5	C6H12O2	ethyl 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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	VIBTUB:dT:0.01	1
POMD	1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	EBULLIO:dPV:0.02	91
POMD	2	Normal boiling temperature, K ; Liquid			Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	ABBE:dT:0.01	1
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	VIBTUB:dT:0.01	1
POMD	3	Normal boiling temperature, K ; Liquid			Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	ABBE:dT:0.01	1
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	VIBTUB:dT:0.01	1
POMD	4	Normal boiling temperature, K ; Liquid			Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	ABBE:dT:0.01	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	VIBTUB:dT:0.01	1
POMD	5	Normal boiling temperature, K ; Liquid			Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	ABBE:dT:0.01	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	VIBTUB:dT:0.01	1
POMD	1 2	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid Gas	EBULLIO:UFactor:2	34
POMD	1 2	Mole fraction - 2 ; Gas	Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Gas Liquid	OTHER	34
POMD	1 2	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	35
POMD	1 2	Excess molar volume, m3/mol ; Liquid	Temperature, K; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	SAME:UFactor:4	47
POMD	1 3	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Gas	EBULLIO:UFactor:2	32
POMD	1 3	Mole fraction - 3 ; Gas	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Gas Liquid	OTHER	32
POMD	1 3	Azeotropic composition: mole fraction - 3 ; Liquid	Temperature, K; Liquid		Liquid Gas	By X=Y	1
POMD	1 3	Azeotropic composition: mole fraction - 3 ; Liquid	Pressure, kPa; Liquid		Liquid Gas	By X=Y	1
POMD	1 3	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	34
POMD	1 3	Excess molar volume, m3/mol ; Liquid	Temperature, K; Liquid Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid	SAME:UFactor:4	44
POMD	1 4	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid Gas	EBULLIO:UFactor:2	34
POMD	1 4	Mole fraction - 4 ; Gas	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Gas Liquid	OTHER	34
POMD	1 4	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	30
POMD	1 4	Excess molar volume, m3/mol ; Liquid	Temperature, K; Liquid Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid	SAME:UFactor:4	41
POMD	1 5	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Gas	EBULLIO:UFactor:4	39
POMD	1 5	Mole fraction - 5 ; Gas	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Gas Liquid	OTHER	39
POMD	1 5	Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid	Temperature, K; Liquid Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid	Calvet calorimetry	33
POMD	1 5	Excess molar volume, m3/mol ; Liquid	Temperature, K; Liquid Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid	SAME:UFactor:4	45

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Isobaric Vapor-Liquid Equilibria and Excess Quantities for Binary Mixtures of an Ethyl Ester + tert-Butanol and a New Approach to VLE Data Processing

Ortega, J.[Juan], Espiau, F.[Fernando], Postigo, M.[Miguel]

ABSTRACT