Mixture of Pentanoic acid, 4-oxo- + Pentanoic acid, 4-oxo-, ethyl 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: Pentanoic acid, 4-oxo-, ethyl ester
InChI: InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
InChI Key: GMEONFUTDYJSNV-UHFFFAOYSA-N
Formula: C7H12O3
SMILES: CCOC(=O)CCC(C)=O
Mol. Weight (g/mol): 144.17
CAS: 539-88-8

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

Mole fraction (2)

Mole fraction [ref]

Operational conditions:

Temperature, K = 303.15 (Liquid mixture 2)
Pressure, kPa = 1 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Pentanoic acid, 4-oxo-, ethyl ester (2) - Liquid mixture 2	Mole fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2	Mole fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1	Mole fraction of Pentanoic acid, 4-oxo-, ethyl ester (2) - Liquid mixture 1
0.3130	0.0500	0.0120	0.0340
0.2970	0.0510	0.0140	0.0340
0.1970	0.0570	0.0260	0.0540
0.2520	0.0540	0.0230	0.0400
0.4610	0.0290	0.0040	0.0220
0.5170	0.0060	0.0020	0.0210
0.4110	0.0330	0.0080	0.0270
0.5580	0.0000	0.0000	0.0200
0.3950	0.0450	0.0100	0.0280
0.4770	0.0170	0.0030	0.0220
0.3660	0.0380	0.0070	0.0280
0.3220	0.0550	0.0160	0.0320
0.3040	0.0550	0.0190	0.0370
0.3180	0.0520	0.0170	0.0330
0.2080	0.0550	0.0250	0.0470
0.4300	0.0340	0.0080	0.0250
0.4350	0.0370	0.0090	0.0260

Mole fraction [ref]

Operational conditions:

Temperature, K = 303.15 (Liquid mixture 2)
Pressure, kPa = 1 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Pentanoic acid, 4-oxo-, ethyl ester (2) - Liquid mixture 2	Mole fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2	Mole fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1	Mole fraction of Pentanoic acid, 4-oxo-, ethyl ester (2) - Liquid mixture 1
0.3130	0.0500	0.0120	0.0340
0.2970	0.0510	0.0140	0.0340
0.1970	0.0570	0.0260	0.0540
0.2520	0.0540	0.0230	0.0400
0.4610	0.0290	0.0040	0.0220
0.5170	0.0060	0.0020	0.0210
0.4110	0.0330	0.0080	0.0270
0.5580	0.0000	0.0000	0.0200
0.3950	0.0450	0.0100	0.0280
0.4770	0.0170	0.0030	0.0220
0.3660	0.0380	0.0070	0.0280
0.3220	0.0550	0.0160	0.0320
0.3040	0.0550	0.0190	0.0370
0.3180	0.0520	0.0170	0.0330
0.2080	0.0550	0.0250	0.0470
0.4300	0.0340	0.0080	0.0250
0.4350	0.0370	0.0090	0.0260

Sources

Phase Equilibria in Systems with Levulinic Acid and Ethyl Levulinate