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

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: 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 (4)

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 Butanoic acid (1) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Butanoic acid (1) - Liquid mixture 2
0.9021	0.0895	0.0560	0.1723
0.9080	0.0833	0.0870	0.2872
0.9021	0.0895	0.0560	0.1723
0.8896	0.1015	0.1360	0.3961
0.8656	0.1251	0.2090	0.5489
0.8564	0.1339	0.2340	0.5684

Mass fraction of Butanedioic acid, diethyl ester (2) [ref]

Operational conditions:

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

Mass fraction of Water (3) - Liquid	Mass fraction of Butanedioic acid, diethyl ester (2) - Liquid
0.0090	0.9910
0.0095	0.9397
0.0211	0.8771
0.0439	0.7998
0.0580	0.7368
0.0835	0.6557
0.1165	0.5102
0.1735	0.3374
0.2399	0.1904
0.3018	0.1150
0.4424	0.0492
0.5812	0.0310
0.7030	0.0143
0.7796	0.0116
0.8160	0.0118
0.8823	0.0090
0.9378	0.0083
0.9918	0.0082

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 Butanoic acid (1) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Butanoic acid (1) - Liquid mixture 2
0.9021	0.0895	0.0560	0.1723
0.9080	0.0833	0.0870	0.2872
0.9021	0.0895	0.0560	0.1723
0.8896	0.1015	0.1360	0.3961
0.8656	0.1251	0.2090	0.5489
0.8564	0.1339	0.2340	0.5684

Mass fraction of Butanedioic acid, diethyl ester (2) [ref]

Operational conditions:

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

Mass fraction of Water (3) - Liquid	Mass fraction of Butanedioic acid, diethyl ester (2) - Liquid
0.0090	0.9910
0.0095	0.9397
0.0211	0.8771
0.0439	0.7998
0.0580	0.7368
0.0835	0.6557
0.1165	0.5102
0.1735	0.3374
0.2399	0.1904
0.3018	0.1150
0.4424	0.0492
0.5812	0.0310
0.7030	0.0143
0.7796	0.0116
0.8160	0.0118
0.8823	0.0090
0.9378	0.0083
0.9918	0.0082

Sources

Liquid-liquid equilibria of (water + butyric acid + diethyl succinate or diethyl glutarate or diethyl adipate) ternary systems