ABSTRACT

The critical properties of binary mixtures (acetic acid + ethanol, water + ethyl acetate, and ethyl acetate + ethanol) and ternary mixtures (acetic acid + ethanol + carbon dioxide, and water + ethyl acetate + carbon dioxide) involved in the esterification of acetic acid with ethanol were measured using a high-pressure view cell with visual observation. Moreover, the critical properties of the nominal reacting mixtures (acetic acid + ethanol + water + ethyl acetate, and acetic acid + ethanol + water + ethyl acetate + carbon dioxide) were also determined with the composition representing the reaction extent (conversion of ethanol or acetic acid) of esterification with the initial mole ratio of acetic acid to ethanol being 1. Such information is essential for determining the reaction conditions when one intends to carry out the esterification under supercritical conditions and/or using carbon dioxide as a solvent, which could be an interesting option to enhance the reaction rate and to increase the equilibrium conversion.

Compounds

#	Formula	Name
1	CO2	carbon dioxide
2	C2H6O	ethanol
3	C4H8O2	ethyl acetate
4	C2H4O2	acetic acid
5	H2O	water

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	Phase	Method	#Points
POMD	1	Critical pressure, kPa ; Liquid		Liquid Gas	Direct measurement	1
POMD	1	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in a stirred cell	1
POMD	2	Critical pressure, kPa ; Liquid		Liquid Gas	Direct measurement	1
POMD	2	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in a stirred cell	1
POMD	3	Critical pressure, kPa ; Liquid		Liquid Gas	Direct measurement	1
POMD	3	Critical temperature, K ; Liquid		Liquid Gas	Visual observation in a stirred cell	1
POMD	2 4	Critical pressure, kPa ; Liquid	Mole fraction - 2; Liquid	Liquid Gas	Direct measurement	6
POMD	2 4	Critical temperature, K ; Liquid	Mole fraction - 2; Liquid	Liquid Gas	Visual observation in a stirred cell	6
POMD	3 5	Critical pressure, kPa ; Liquid	Mole fraction - 3; Liquid	Liquid Gas	Direct measurement	4
POMD	3 5	Critical temperature, K ; Liquid	Mole fraction - 3; Liquid	Liquid Gas	Visual observation in a stirred cell	4
POMD	2 3	Critical pressure, kPa ; Liquid	Mole fraction - 2; Liquid	Liquid Gas	Direct measurement	6
POMD	2 3	Critical temperature, K ; Liquid	Mole fraction - 2; Liquid	Liquid Gas	Visual observation in a stirred cell	6
POMD	2 4 1	Critical pressure, kPa ; Liquid	Mole fraction - 4; Liquid Mole fraction - 2; Liquid	Liquid Gas	Direct measurement	6
POMD	2 4 1	Critical temperature, K ; Liquid	Mole fraction - 4; Liquid Mole fraction - 2; Liquid	Liquid Gas	Visual observation in a stirred cell	6
POMD	1 3 5	Critical pressure, kPa ; Liquid	Mole fraction - 5; Liquid Mole fraction - 3; Liquid	Liquid Gas	Direct measurement	6
POMD	1 3 5	Critical temperature, K ; Liquid	Mole fraction - 5; Liquid Mole fraction - 3; Liquid	Liquid Gas	Visual observation in a stirred cell	6

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

Critical Properties of the Reacting Mixture in the Esterification of Acetic Acid with Ethanol

Hu, T.[Tuoping], Qin, Z.[Zhangfeng], Wang, G.[Guofu], Hou, X.[Xianglin], Wang, J.[Jianguo]

ABSTRACT