Mixture of Pentanoic acid, 4-oxo- + 1-Hexanol + Water

Name: Pentanoic acid, 4-oxo-
InChI: InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N
Formula: C5H8O3
SMILES: CC(=O)CCC(=O)O
Mol. Weight (g/mol): 116.12
CAS: 123-76-2

Name: 1-Hexanol
InChI: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChI Key: ZSIAUFGUXNUGDI-UHFFFAOYSA-N
Formula: C6H14O
SMILES: CCCCCCO
Mol. Weight (g/mol): 102.17
CAS: 111-27-3

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:

Pressure, kPa = 101.3 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2
0.8797	0.1183	0.0720	0.0767
0.7808	0.2162	0.0910	0.1392
0.6934	0.2946	0.1030	0.1776
0.5745	0.3835	0.1360	0.2845
0.4645	0.4575	0.1640	0.3220

Mass fraction of Pentanoic acid, 4-oxo- (1) [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.0512	0.0000
0.0773	0.0820
0.1036	0.1414
0.1131	0.2043
0.1246	0.2521
0.1528	0.3085
0.1997	0.3514
0.2562	0.4145
0.2887	0.4252
0.4761	0.4428
0.6022	0.3654
0.6711	0.3082
0.7497	0.2369
0.7939	0.1970
0.8829	0.1098
0.9430	0.0542
0.9901	0.0000

Mass fraction [ref]

Operational conditions:

Pressure, kPa = 101.3 (Liquid mixture 1)
Temperature, K = 298.15 (Liquid mixture 1)

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2
0.8797	0.1183	0.0720	0.0767
0.7808	0.2162	0.0910	0.1392
0.6934	0.2946	0.1030	0.1776
0.5745	0.3835	0.1360	0.2845
0.4645	0.4575	0.1640	0.3220

Mass fraction of Pentanoic acid, 4-oxo- (1) [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.0512	0.0000
0.0773	0.0820
0.1036	0.1414
0.1131	0.2043
0.1246	0.2521
0.1528	0.3085
0.1997	0.3514
0.2562	0.4145
0.2887	0.4252
0.4761	0.4428
0.6022	0.3654
0.6711	0.3082
0.7497	0.2369
0.7939	0.1970
0.8829	0.1098
0.9430	0.0542
0.9901	0.0000

Sources

Phase equilibria of (water + levunilic acid + alcohol) ternary systems