Mixture of Decanedioic acid, dibutyl ester + Pentanoic acid, 4-oxo- + Water

Name: Decanedioic acid, dibutyl ester
InChI: InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
InChI Key: PYGXAGIECVVIOZ-UHFFFAOYSA-N
Formula: C18H34O4
SMILES: CCCCOC(=O)CCCCCCCCC(=O)OCCCC
Mol. Weight (g/mol): 314.46
CAS: 109-43-3

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: 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 (2)

Mass fraction of Pentanoic acid, 4-oxo- (2) [ref]

Fixed			Measured
Mass fraction of Pentanoic acid, 4-oxo- (2) - Liquid mixture 2	Temperature, K - Liquid mixture 1	Pressure, kPa - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (2) - Liquid mixture 1
0.0420	298.15	2500.00	0.0078

Mass fraction of Pentanoic acid, 4-oxo- (2) [ref]

Fixed			Measured
Mass fraction of Pentanoic acid, 4-oxo- (2) - Liquid mixture 2	Temperature, K - Liquid mixture 1	Pressure, kPa - Liquid mixture 1	Mass fraction of Pentanoic acid, 4-oxo- (2) - Liquid mixture 1
0.0420	298.15	2500.00	0.0078

Sources

Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant

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