Mixture of 2-Butenedioic acid (Z)-, dimethyl ester + Acetic acid + Water

Name: 2-Butenedioic acid (Z)-, dimethyl ester
InChI: InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-
InChI Key: LDCRTTXIJACKKU-ARJAWSKDSA-N
Formula: C6H8O4
SMILES: COC(=O)C=CC(=O)OC
Mol. Weight (g/mol): 144.13
CAS: 624-48-6

Name: Acetic acid
InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-N
Formula: C2H4O2
SMILES: CC(=O)O
Mol. Weight (g/mol): 60.05
CAS: 64-19-7

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

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Datasets

Mole fraction (4)

Mole fraction of Acetic acid (2) [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 1
0.0671	0.0000
0.2988	0.0990
0.4452	0.1184
0.6410	0.1211
0.7565	0.1068
0.7831	0.1022
0.8407	0.0873
0.8934	0.0673
0.9334	0.0455
0.9654	0.0207
0.9904	0.0000

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 2	Mole fraction of Water (3) - Liquid mixture 2
0.9783	0.0104	0.0433	0.1501
0.9585	0.0265	0.0855	0.2621
0.9356	0.0432	0.1157	0.3987
0.9049	0.0620	0.1246	0.5850

Mole fraction of Acetic acid (2) [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 1
0.0671	0.0000
0.2988	0.0990
0.4452	0.1184
0.6410	0.1211
0.7565	0.1068
0.7831	0.1022
0.8407	0.0873
0.8934	0.0673
0.9334	0.0455
0.9654	0.0207
0.9904	0.0000

Mole fraction [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 1	Mole fraction of Acetic acid (2) - Liquid mixture 2	Mole fraction of Water (3) - Liquid mixture 2
0.9783	0.0104	0.0433	0.1501
0.9585	0.0265	0.0855	0.2621
0.9356	0.0432	0.1157	0.3987
0.9049	0.0620	0.1246	0.5850

Sources

Determination and correlation of liquid liquid equilibria for the (water + carboxylic acid + dimethyl maleate) ternary systems at T = 298.2K