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Mixture of 2-Butenedioic acid (Z)-, diethyl ester + Pentanoic 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: Pentanoic acid
InChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Formula: C5H10O2
SMILES: CCCCC(=O)O
Mol. Weight (g/mol): 102.13
CAS: 109-52-4

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 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
0.1933	0.7550
0.2907	0.5564
0.3340	0.4475
0.3694	0.3527
0.3988	0.2701
0.4151	0.2060
0.4228	0.1526
0.4357	0.1113
0.4476	0.0695
0.5121	0.0168
0.6978	0.0038
0.8146	0.0029
0.9260	0.0021
0.9984	0.0016

Mole fraction [ref]

Operational conditions:

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

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of 2-Butenedioic acid (Z)-, diethyl ester (1) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of 2-Butenedioic acid (Z)-, diethyl ester (1) - Liquid mixture 2
0.9961	0.0015	0.2796	0.5774
0.9950	0.0015	0.3656	0.3615
0.9942	0.0016	0.4073	0.2407
0.9932	0.0017	0.4145	0.2036
0.9925	0.0017	0.4327	0.1206
0.9920	0.0018	0.4421	0.0873
0.9899	0.0018	0.4528	0.0585

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
0.1933	0.7550
0.2907	0.5564
0.3340	0.4475
0.3694	0.3527
0.3988	0.2701
0.4151	0.2060
0.4228	0.1526
0.4357	0.1113
0.4476	0.0695
0.5121	0.0168
0.6978	0.0038
0.8146	0.0029
0.9260	0.0021
0.9984	0.0016

Mole fraction [ref]

Operational conditions:

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

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of 2-Butenedioic acid (Z)-, diethyl ester (1) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of 2-Butenedioic acid (Z)-, diethyl ester (1) - Liquid mixture 2
0.9961	0.0015	0.2796	0.5774
0.9950	0.0015	0.3656	0.3615
0.9942	0.0016	0.4073	0.2407
0.9932	0.0017	0.4145	0.2036
0.9925	0.0017	0.4327	0.1206
0.9920	0.0018	0.4421	0.0873
0.9899	0.0018	0.4528	0.0585

Sources

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