ABSTRACT

The vapor liquid equilibrium (VLE) data of the ethanol + sec-butyl acetate, 1-propanol + sec-butyl acetate and 2-propanol + sec-butyl acetate mixtures were determined at 101.3 kPa. The first principle quantum chemistry calculation method, which focuses on the H-bond and interaction energies, is used to give insight into interactions at the molecular level. The experimental VLE data passed the thermodynamic consistency test. The data were regressed using Wilson, non-random two liquids and universal quasi-chemical equations. The 1-propanol + sec-butyl acetate mixture forms minimum temperature azeotropic mixture. The azeotropic temperature is 370.01 K and the composition of 1-propanol is 89.2 mole% when calculated with the Wilson model.

Compounds

#	Formula	Name
1	C6H12O2	1-methylpropyl ethanoate
2	C2H6O	ethanol
3	C3H8O	propan-1-ol
4	C3H8O	propan-2-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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Pycnometric method	1
POMD	1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	1	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Pycnometric method	1
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Pycnometric method	1
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	3	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Pycnometric method	1
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	4	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	2 1	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	17
POMD	2 1	Mole fraction - 2 ; Gas	Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	17
POMD	3 1	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	17
POMD	3 1	Mole fraction - 3 ; Gas	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	17
POMD	4 1	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	17
POMD	4 1	Mole fraction - 4 ; Gas	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	17

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

Isobaric Vapor-Liquid Equilibrium for the Binary Systems of Sec-butyl Acetate and Ethanol, 1-Propanol, or 2-Propanol at 101.3 kPa

Jiang, Zhankun, Zhu, Xueying, Li, YuChuan, Chen, Zhonghe, Fang, Jing, Sun, Guoxin, Zhang, Fengjiao, Ai, Hongqi, Yang, Cheng

ABSTRACT