Mixture of 2-Butenedioic acid (Z)-, dimethyl ester + Propanoic 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: Propanoic acid
InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N
Formula: C3H6O2
SMILES: CCC(=O)O
Mol. Weight (g/mol): 74.08
CAS: 79-09-4

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 Propanoic 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 Propanoic acid (2) - Liquid mixture 1
0.0671	0.0000
0.4592	0.1059
0.6019	0.1396
0.6311	0.1434
0.7220	0.1286
0.8087	0.1019
0.8522	0.0828
0.8915	0.0654
0.9120	0.0550
0.9622	0.0222
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 Propanoic acid (2) - Liquid mixture 1	Mole fraction of Propanoic acid (2) - Liquid mixture 2	Mole fraction of Water (3) - Liquid mixture 2
0.9758	0.0115	0.0518	0.2443
0.9584	0.0240	0.0723	0.3042
0.9314	0.0422	0.0960	0.3814
0.8975	0.0628	0.1206	0.4829
0.8492	0.0877	0.1318	0.5542

Mole fraction of Propanoic 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 Propanoic acid (2) - Liquid mixture 1
0.0671	0.0000
0.4592	0.1059
0.6019	0.1396
0.6311	0.1434
0.7220	0.1286
0.8087	0.1019
0.8522	0.0828
0.8915	0.0654
0.9120	0.0550
0.9622	0.0222
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 Propanoic acid (2) - Liquid mixture 1	Mole fraction of Propanoic acid (2) - Liquid mixture 2	Mole fraction of Water (3) - Liquid mixture 2
0.9758	0.0115	0.0518	0.2443
0.9584	0.0240	0.0723	0.3042
0.9314	0.0422	0.0960	0.3814
0.8975	0.0628	0.1206	0.4829
0.8492	0.0877	0.1318	0.5542

Sources

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