Mixture of Acetic acid + Butanedioic acid, diethyl ester + Water

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: Butanedioic acid, diethyl ester
InChI: InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
InChI Key: DKMROQRQHGEIOW-UHFFFAOYSA-N
Formula: C8H14O4
SMILES: CCOC(=O)CCC(=O)OCC
Mol. Weight (g/mol): 174.19
CAS: 123-25-1

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

Mass fraction (6)

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 101.325 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Acetic acid (1) - Liquid mixture 1	Mass fraction of Acetic acid (1) - Liquid mixture 2	Mass fraction of Water (3) - Liquid mixture 2
0.8932	0.0663	0.0294	0.0727
0.8245	0.1326	0.0636	0.0842
0.6895	0.2304	0.1468	0.1414
0.4422	0.2924	0.2678	0.2752

Mass fraction of Acetic acid (1) [ref]

Operational conditions:

Pressure, kPa = 101.3 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Acetic acid (1) - Liquid mixture 1
0.4537	0.3076
0.5486	0.2989
0.6299	0.2707
0.6902	0.2329
0.7584	0.1886
0.8477	0.1193
0.9781	0.0000

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Acetic acid (1) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Acetic acid (1) - Liquid mixture 2
0.9206	0.0505	0.0409	0.0346
0.8573	0.1132	0.0502	0.0585
0.7682	0.1809	0.0829	0.1143
0.6713	0.2462	0.1269	0.1839

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 101.325 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Acetic acid (1) - Liquid mixture 1	Mass fraction of Acetic acid (1) - Liquid mixture 2	Mass fraction of Water (3) - Liquid mixture 2
0.8932	0.0663	0.0294	0.0727
0.8245	0.1326	0.0636	0.0842
0.6895	0.2304	0.1468	0.1414
0.4422	0.2924	0.2678	0.2752

Mass fraction of Acetic acid (1) [ref]

Operational conditions:

Pressure, kPa = 101.3 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Acetic acid (1) - Liquid mixture 1
0.4537	0.3076
0.5486	0.2989
0.6299	0.2707
0.6902	0.2329
0.7584	0.1886
0.8477	0.1193
0.9781	0.0000

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Acetic acid (1) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Acetic acid (1) - Liquid mixture 2
0.9206	0.0505	0.0409	0.0346
0.8573	0.1132	0.0502	0.0585
0.7682	0.1809	0.0829	0.1143
0.6713	0.2462	0.1269	0.1839

Sources