Mixture of Diethyl adipate + Butanoic acid + Water

Name: Diethyl adipate
InChI: InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
InChI Key: VIZORQUEIQEFRT-UHFFFAOYSA-N
Formula: C10H18O4
SMILES: CCOC(=O)CCCCC(=O)OCC
Mol. Weight (g/mol): 202.25
CAS: 141-28-6

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: 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 [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 (2) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Butanoic acid (2) - Liquid mixture 2
0.9326	0.0658	0.0342	0.1442
0.9226	0.0757	0.0821	0.2778
0.8937	0.1044	0.0891	0.3796
0.8845	0.1134	0.1210	0.4366
0.8665	0.1302	0.1513	0.4903

Mass fraction of Diethyl adipate (1) [ref]

Operational conditions:

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

Mass fraction of Water (3) - Liquid	Mass fraction of Diethyl adipate (1) - Liquid
0.0183	0.9817
0.0183	0.9145
0.0300	0.8645
0.0386	0.7930
0.0542	0.7435
0.0756	0.6580
0.0881	0.5326
0.1566	0.2973
0.2176	0.1841
0.4501	0.0352
0.6979	0.0210
0.7700	0.0063
0.8216	0.0041
0.8876	0.0021
0.9550	0.0011
0.9910	0.0090

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 (2) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Butanoic acid (2) - Liquid mixture 2
0.9326	0.0658	0.0342	0.1442
0.9226	0.0757	0.0821	0.2778
0.8937	0.1044	0.0891	0.3796
0.8845	0.1134	0.1210	0.4366
0.8665	0.1302	0.1513	0.4903

Mass fraction of Diethyl adipate (1) [ref]

Operational conditions:

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

Mass fraction of Water (3) - Liquid	Mass fraction of Diethyl adipate (1) - Liquid
0.0183	0.9817
0.0183	0.9145
0.0300	0.8645
0.0386	0.7930
0.0542	0.7435
0.0756	0.6580
0.0881	0.5326
0.1566	0.2973
0.2176	0.1841
0.4501	0.0352
0.6979	0.0210
0.7700	0.0063
0.8216	0.0041
0.8876	0.0021
0.9550	0.0011
0.9910	0.0090

Sources

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