Mixture of Butanoic acid + Hexanedioic acid, dimethyl 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: Hexanedioic acid, dimethyl ester
InChI: InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
InChI Key: UDSFAEKRVUSQDD-UHFFFAOYSA-N
Formula: C8H14O4
SMILES: COC(=O)CCCCC(=O)OC
Mol. Weight (g/mol): 174.19
CAS: 627-93-0

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

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

Mass fraction (4)

Mass fraction of Butanoic acid (1) [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Butanoic acid (1) - Liquid mixture 1
0.0621	0.1105
0.0791	0.1691
0.0971	0.2274
0.1148	0.2879
0.1362	0.3466
0.1495	0.3817
0.1801	0.4505
0.1926	0.4776
0.2484	0.5311
0.3582	0.5367
0.4233	0.5043
0.4984	0.4511
0.5763	0.3861
0.6570	0.3164
0.7381	0.2450
0.8108	0.1771
0.8684	0.1203
0.9413	0.0490
0.9912	0.0000

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

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
0.9644	0.0265	0.0655	0.1133
0.9459	0.0446	0.0991	0.2296
0.9299	0.0601	0.1325	0.3398
0.9022	0.0874	0.1619	0.4188
0.8922	0.0969	0.2004	0.4894
0.8805	0.1084	0.2389	0.5245

Mass fraction of Butanoic acid (1) [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Butanoic acid (1) - Liquid mixture 1
0.0621	0.1105
0.0791	0.1691
0.0971	0.2274
0.1148	0.2879
0.1362	0.3466
0.1495	0.3817
0.1801	0.4505
0.1926	0.4776
0.2484	0.5311
0.3582	0.5367
0.4233	0.5043
0.4984	0.4511
0.5763	0.3861
0.6570	0.3164
0.7381	0.2450
0.8108	0.1771
0.8684	0.1203
0.9413	0.0490
0.9912	0.0000

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

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
0.9644	0.0265	0.0655	0.1133
0.9459	0.0446	0.0991	0.2296
0.9299	0.0601	0.1325	0.3398
0.9022	0.0874	0.1619	0.4188
0.8922	0.0969	0.2004	0.4894
0.8805	0.1084	0.2389	0.5245

Sources

(Liquid + liquid) equilibria of (water + butyric acid + dibasic esters) ternary systems