Mixture of Pentanoic acid, 4-oxo- + 1-Octanol + 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-Octanol
InChI: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChI Key: KBPLFHHGFOOTCA-UHFFFAOYSA-N
Formula: C8H18O
SMILES: CCCCCCCCO
Mol. Weight (g/mol): 130.23
CAS: 111-87-5

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 (6)

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

Operational conditions:

Temperature, K = 293.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.1477	0.0000
0.2280	0.2256
0.2530	0.2471
0.3307	0.3207
0.3976	0.3417
0.4967	0.3471
0.5914	0.3220
0.6783	0.2811
0.7546	0.2336
0.7903	0.2051
0.8277	0.1701
0.8910	0.1075
0.9475	0.0517
0.9996	0.0000

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 101.3 (Liquid mixture 1)
Temperature, K = 293.15 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2
0.9819	0.0176	0.2579	0.0097
0.9661	0.0334	0.2786	0.0176
0.9307	0.0686	0.2835	0.0324
0.9050	0.0942	0.2861	0.0430
0.8728	0.1261	0.2884	0.0583
0.8469	0.1511	0.2936	0.0709
0.8270	0.1706	0.3073	0.0846
0.7837	0.2134	0.3111	0.1086

Molality, mol/kg of Pentanoic acid, 4-oxo- (1) [ref]

Operational conditions:

Temperature, K = 298 (Liquid mixture 1)
Pressure, kPa = 100 (Liquid mixture 1)

Molality, mol/kg of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2	Molality, mol/kg of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.0788	0.0311
0.1169	0.0426
0.2046	0.0749
0.3496	0.0629
0.4487	0.0618

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

Operational conditions:

Temperature, K = 293.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.1477	0.0000
0.2280	0.2256
0.2530	0.2471
0.3307	0.3207
0.3976	0.3417
0.4967	0.3471
0.5914	0.3220
0.6783	0.2811
0.7546	0.2336
0.7903	0.2051
0.8277	0.1701
0.8910	0.1075
0.9475	0.0517
0.9996	0.0000

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 101.3 (Liquid mixture 1)
Temperature, K = 293.15 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2
0.9819	0.0176	0.2579	0.0097
0.9661	0.0334	0.2786	0.0176
0.9307	0.0686	0.2835	0.0324
0.9050	0.0942	0.2861	0.0430
0.8728	0.1261	0.2884	0.0583
0.8469	0.1511	0.2936	0.0709
0.8270	0.1706	0.3073	0.0846
0.7837	0.2134	0.3111	0.1086

Molality, mol/kg of Pentanoic acid, 4-oxo- (1) [ref]

Operational conditions:

Temperature, K = 298 (Liquid mixture 1)
Pressure, kPa = 100 (Liquid mixture 1)

Molality, mol/kg of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2	Molality, mol/kg of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1
0.0788	0.0311
0.1169	0.0426
0.2046	0.0749
0.3496	0.0629
0.4487	0.0618

Sources