Mixture of Pentanoic acid, 4-oxo- + 1-Butanol, 3-methyl- + 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-Butanol, 3-methyl-
InChI: InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N
Formula: C5H12O
SMILES: CC(C)CCO
Mol. Weight (g/mol): 88.15
CAS: 123-51-3

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)

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
0.9136	0.0654	0.1120	0.0613
0.8467	0.1333	0.1380	0.1209
0.7818	0.1872	0.1410	0.1842
0.6951	0.2529	0.1720	0.2490
0.5710	0.3240	0.2350	0.3069

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
0.0872	0.0000
0.1113	0.0620
0.1464	0.1405
0.1680	0.2118
0.1823	0.2488
0.2175	0.2939
0.2760	0.3353
0.3406	0.3437
0.3983	0.3455
0.5026	0.3394
0.6169	0.2991
0.6933	0.2493
0.7598	0.1938
0.8261	0.1442
0.9119	0.0560
0.9730	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
0.9136	0.0654	0.1120	0.0613
0.8467	0.1333	0.1380	0.1209
0.7818	0.1872	0.1410	0.1842
0.6951	0.2529	0.1720	0.2490
0.5710	0.3240	0.2350	0.3069

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
0.0872	0.0000
0.1113	0.0620
0.1464	0.1405
0.1680	0.2118
0.1823	0.2488
0.2175	0.2939
0.2760	0.3353
0.3406	0.3437
0.3983	0.3455
0.5026	0.3394
0.6169	0.2991
0.6933	0.2493
0.7598	0.1938
0.8261	0.1442
0.9119	0.0560
0.9730	0.0000

Sources

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