Mixture of 2-Butenedioic acid (Z)-, diethyl ester + Butanoic acid + Water

Name: 2-Butenedioic acid (Z)-, diethyl ester
InChI: InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChI Key: IEPRKVQEAMIZSS-WAYWQWQTSA-N
Formula: C8H12O4
SMILES: CCOC(=O)C=CC(=O)OCC
Mol. Weight (g/mol): 172.18
CAS: 141-05-9

Name: Butanoic acid
InChI: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChI Key: FERIUCNNQQJTOY-UHFFFAOYSA-N
Formula: C4H8O2
SMILES: CCCC(=O)O
Mol. Weight (g/mol): 88.11
CAS: 107-92-6

Name: Water
InChI: InChI=1S/H2O/h1H2
InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula: H2O
SMILES: O
Mol. Weight (g/mol): 18.02
CAS: 7732-18-5

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

Mole fraction (4)

Mole fraction of 2-Butenedioic acid (Z)-, diethyl ester (1) [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of 2-Butenedioic acid (Z)-, diethyl ester (1) - Liquid mixture 1
0.1330	0.8670
0.2208	0.7136
0.3168	0.5140
0.3837	0.3815
0.4435	0.2797
0.4868	0.2065
0.5363	0.1458
0.5459	0.1324
0.5962	0.0918
0.7024	0.0344
0.7974	0.0124
0.8542	0.0068
0.9035	0.0037
0.9481	0.0027
0.9872	0.0018
0.9984	0.0016

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 2)
Temperature, K = 298.15 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of 2-Butenedioic acid (Z)-, diethyl ester (1) - Liquid mixture 2	Mole fraction of 2-Butenedioic acid (Z)-, diethyl ester (1) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 1
0.2677	0.6059	0.0017	0.9935
0.3808	0.3875	0.0020	0.9883
0.4496	0.2679	0.0020	0.9846
0.4915	0.2031	0.0020	0.9817
0.5442	0.1347	0.0021	0.9773
0.5955	0.0908	0.0022	0.9746
0.6622	0.0509	0.0023	0.9716

Mole fraction of 2-Butenedioic acid (Z)-, diethyl ester (1) [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of 2-Butenedioic acid (Z)-, diethyl ester (1) - Liquid mixture 1
0.1330	0.8670
0.2208	0.7136
0.3168	0.5140
0.3837	0.3815
0.4435	0.2797
0.4868	0.2065
0.5363	0.1458
0.5459	0.1324
0.5962	0.0918
0.7024	0.0344
0.7974	0.0124
0.8542	0.0068
0.9035	0.0037
0.9481	0.0027
0.9872	0.0018
0.9984	0.0016

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 2)
Temperature, K = 298.15 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of 2-Butenedioic acid (Z)-, diethyl ester (1) - Liquid mixture 2	Mole fraction of 2-Butenedioic acid (Z)-, diethyl ester (1) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 1
0.2677	0.6059	0.0017	0.9935
0.3808	0.3875	0.0020	0.9883
0.4496	0.2679	0.0020	0.9846
0.4915	0.2031	0.0020	0.9817
0.5442	0.1347	0.0021	0.9773
0.5955	0.0908	0.0022	0.9746
0.6622	0.0509	0.0023	0.9716

Sources

Phase equilibria of (water + carboxylic acid + diethyl maleate) ternary liquid systems at 298.15 K