Mixture of Pentanoic acid, 4-oxo- + Dimethyl phthalate + 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: Dimethyl phthalate
InChI: InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3
InChI Key: NIQCNGHVCWTJSM-UHFFFAOYSA-N
Formula: C10H10O4
SMILES: COC(=O)c1ccccc1C(=O)OC
Mol. Weight (g/mol): 194.18
CAS: 131-11-3

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

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Datasets

Mass fraction (4)
ρ_l - Mass density, kg/m3 (4)

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

Operational conditions:

Pressure, kPa = 101.1 (Liquid mixture 1)
Temperature, K = 298.2 (Liquid mixture 1)

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.0131	0.0000
0.0485	0.0970
0.0782	0.1862
0.1614	0.2935
0.2570	0.3939
0.3594	0.4153
0.5052	0.3701
0.5585	0.3408
0.6899	0.2713
0.7331	0.2444
0.8400	0.1482
0.9365	0.0518
0.9906	0.0000

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid mixture 2)
Pressure, kPa = 101.1 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 1
0.0753	0.1849	0.0228	0.9666
0.1357	0.2593	0.0429	0.9465
0.2006	0.3351	0.0801	0.9081
0.2386	0.3743	0.1399	0.8488
0.2721	0.3972	0.1870	0.7968
0.3454	0.4127	0.2279	0.7544

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

Operational conditions:

Pressure, kPa = 101.1 (Liquid mixture 1)
Temperature, K = 298.2 (Liquid mixture 1)

Mass fraction of Water (3) - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.0131	0.0000
0.0485	0.0970
0.0782	0.1862
0.1614	0.2935
0.2570	0.3939
0.3594	0.4153
0.5052	0.3701
0.5585	0.3408
0.6899	0.2713
0.7331	0.2444
0.8400	0.1482
0.9365	0.0518
0.9906	0.0000

Mass fraction [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid mixture 2)
Pressure, kPa = 101.1 (Liquid mixture 2)

Fixed	Measured
Mass fraction of Water (3) - Liquid mixture 2	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1	Mass fraction of Water (3) - Liquid mixture 1
0.0753	0.1849	0.0228	0.9666
0.1357	0.2593	0.0429	0.9465
0.2006	0.3351	0.0801	0.9081
0.2386	0.3743	0.1399	0.8488
0.2721	0.3972	0.1870	0.7968
0.3454	0.4127	0.2279	0.7544

Mass density, kg/m3 [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid)
Pressure, kPa = 101.1 (Liquid)

Fixed		Measured
Mass fraction of Water (3) - Liquid	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid	Mass density, kg/m3 - Liquid
0.9666	0.0228	1004.6
0.9465	0.0429	1007.2
0.9081	0.0801	1012.2
0.8488	0.1399	1019.9
0.7968	0.1870	1026.9
0.7544	0.2279	1032.7

Mass density, kg/m3 [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid)
Pressure, kPa = 101.1 (Liquid)

Fixed		Measured
Mass fraction of Water (3) - Liquid	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid	Mass density, kg/m3 - Liquid
0.0753	0.1849	1164.8
0.1357	0.2593	1148.6
0.2006	0.3351	1131.9
0.2386	0.3743	1122.5
0.2721	0.3972	1114.8
0.3454	0.4127	1099.9

Mass density, kg/m3 [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid)
Pressure, kPa = 101.1 (Liquid)

Fixed		Measured
Mass fraction of Water (3) - Liquid	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid	Mass density, kg/m3 - Liquid
0.9666	0.0228	1004.6
0.9465	0.0429	1007.2
0.9081	0.0801	1012.2
0.8488	0.1399	1019.9
0.7968	0.1870	1026.9
0.7544	0.2279	1032.7

Mass density, kg/m3 [ref]

Operational conditions:

Temperature, K = 298.2 (Liquid)
Pressure, kPa = 101.1 (Liquid)

Fixed		Measured
Mass fraction of Water (3) - Liquid	Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid	Mass density, kg/m3 - Liquid
0.0753	0.1849	1164.8
0.1357	0.2593	1148.6
0.2006	0.3351	1131.9
0.2386	0.3743	1122.5
0.2721	0.3972	1114.8
0.3454	0.4127	1099.9

Sources

Liquid-liquid equilibria for the aqueous mixture of C5 carboxylic acids and heavier than water solvents at T = 298.2 K