ABSTRACT

In this work, the thermodynamic behavior of catalytic esterification reaction equilibrium and vapor liquid equilibria (VLE) for the quaternary reactive system acetic acid + butan-1-ol + butyl acetate + water and constituent binary systems acetic acid + butyl acetate, butan-1-ol + butyl acetate, and butan-1-ol + water have been determined at 101.3 kPa, and liquid liquid equilibria (LLE) of the binary system butan-1-ol + water have also been determined. The esterification reaction rate of the acetic acid and butan-1-ol mixture is very slow. So, in this study, p-toluenesulfonic acid was selected as the catalyst to accelerate the chemical reaction. The measured VLE data were correlated by the NRTL and UNIQUAC activity coefficient models with allowance for association of acetic acid in the vapor phase.

Compounds

#	Formula	Name
1	C6H12O2	butyl ethanoate
2	C2H4O2	acetic acid
3	H2O	water
4	C4H10O	butan-1-ol

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:UFactor:2	1
POMD	1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	27
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:2	1
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	27
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:2	1
POMD	4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	EBULLIO::UFactor:2	1
POMD	4 1	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid Gas	EBULLIO:UFactor:2	21
POMD	4 1	Mole fraction - 4 ; Gas	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	21
POMD	4 3	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid Gas	EBULLIO:UFactor:2	17
POMD	4 3	Mole fraction - 4 ; Gas	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	17
POMD	4 3	Mole fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	5
POMD	4 3	Mole fraction - 4 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Titration method	5
POMD	2 1	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid Gas	EBULLIO:UFactor:4	21
POMD	2 1	Mole fraction - 2 ; Gas	Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	21

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

Phase Equilibrium for the Esterification Reaction of Acetic Acid + Butan-1-ol at 101.3 kPa

Lladosa, E.[Estela], Monton, J. B. [Juan B.], Burguet, M. C.[M. Cruz], Munoz, R.[Rosa]

ABSTRACT