Mixture of Pentanoic acid, 4-oxo- + Pentanedioic acid, dimethyl ester + 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: Pentanedioic acid, dimethyl ester
InChI: InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3
InChI Key: XTDYIOOONNVFMA-UHFFFAOYSA-N
Formula: C7H12O4
SMILES: COC(=O)CCCC(=O)OC
Mol. Weight (g/mol): 160.17
CAS: 1119-40-0

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 (6)

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

Operational conditions:

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

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.0415	0.0000
0.0722	0.0561
0.0928	0.1108
0.1185	0.1624
0.1394	0.1930
0.2174	0.2409
0.3167	0.2640
0.4715	0.2513
0.5562	0.2379
0.6794	0.1863
0.7269	0.1597
0.8202	0.1033
0.9048	0.0497
0.9419	0.0000

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 101.3 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2	Mass fraction of Water (3) - Liquid mixture 2
0.8530	0.0750	0.0530	0.0640
0.7650	0.1420	0.0930	0.1260
0.7090	0.1780	0.1230	0.1630
0.6040	0.2240	0.1830	0.2100

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

Fixed			Measured
Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2	Temperature, K - Liquid mixture 1	Pressure, kPa - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.0431	298.15	2500.00	0.0067

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

Operational conditions:

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

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.0415	0.0000
0.0722	0.0561
0.0928	0.1108
0.1185	0.1624
0.1394	0.1930
0.2174	0.2409
0.3167	0.2640
0.4715	0.2513
0.5562	0.2379
0.6794	0.1863
0.7269	0.1597
0.8202	0.1033
0.9048	0.0497
0.9419	0.0000

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 2)
Pressure, kPa = 101.3 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2	Mass fraction of Water (3) - Liquid mixture 2
0.8530	0.0750	0.0530	0.0640
0.7650	0.1420	0.0930	0.1260
0.7090	0.1780	0.1230	0.1630
0.6040	0.2240	0.1830	0.2100

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

Fixed			Measured
Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2	Temperature, K - Liquid mixture 1	Pressure, kPa - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.0431	298.15	2500.00	0.0067

Sources