Mixture of 2-Octanone + Propanoic acid + Water

Name: 2-Octanone
InChI: InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
InChI Key: ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
Formula: C8H16O
SMILES: CCCCCCC(C)=O
Mol. Weight (g/mol): 128.21
CAS: 111-13-7

Name: Propanoic acid
InChI: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N
Formula: C3H6O2
SMILES: CCC(=O)O
Mol. Weight (g/mol): 74.08
CAS: 79-09-4

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 (4)

Mole fraction of Propanoic acid (2) [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Propanoic acid (2) - Liquid mixture 1
0.9998	0.0000
0.9711	0.0286
0.9367	0.0627
0.8939	0.1019
0.8383	0.1465
0.7875	0.1828
0.7158	0.2303
0.6264	0.2837
0.5185	0.3315
0.4218	0.3523
0.3774	0.3388
0.3280	0.2954
0.2344	0.2472
0.1491	0.1430
0.0827	0.0000

Mole fraction [ref]

Operational conditions:

Temperature, K = 293.15 (Liquid mixture 2)
Pressure, kPa = 101 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Propanoic acid (2) - Liquid mixture 1	Mole fraction of Propanoic acid (2) - Liquid mixture 2	Mole fraction of Water (3) - Liquid mixture 2
0.1042	0.0940	0.0098	0.9900
0.1747	0.1740	0.0181	0.9816
0.2204	0.2236	0.0262	0.9734
0.2751	0.2660	0.0360	0.9635
0.3280	0.2952	0.0409	0.9585
0.3642	0.3260	0.0489	0.9504
0.3931	0.3418	0.0596	0.9395
0.4217	0.3542	0.0704	0.9282
0.4899	0.3368	0.0785	0.9193

Mole fraction of Propanoic acid (2) [ref]

Operational conditions:

Temperature, K = 298.15 (Liquid mixture 1)
Pressure, kPa = 101 (Liquid mixture 1)

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Propanoic acid (2) - Liquid mixture 1
0.9998	0.0000
0.9711	0.0286
0.9367	0.0627
0.8939	0.1019
0.8383	0.1465
0.7875	0.1828
0.7158	0.2303
0.6264	0.2837
0.5185	0.3315
0.4218	0.3523
0.3774	0.3388
0.3280	0.2954
0.2344	0.2472
0.1491	0.1430
0.0827	0.0000

Mole fraction [ref]

Operational conditions:

Temperature, K = 293.15 (Liquid mixture 2)
Pressure, kPa = 101 (Liquid mixture 2)

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Propanoic acid (2) - Liquid mixture 1	Mole fraction of Propanoic acid (2) - Liquid mixture 2	Mole fraction of Water (3) - Liquid mixture 2
0.1042	0.0940	0.0098	0.9900
0.1747	0.1740	0.0181	0.9816
0.2204	0.2236	0.0262	0.9734
0.2751	0.2660	0.0360	0.9635
0.3280	0.2952	0.0409	0.9585
0.3642	0.3260	0.0489	0.9504
0.3931	0.3418	0.0596	0.9395
0.4217	0.3542	0.0704	0.9282
0.4899	0.3368	0.0785	0.9193

Sources

Correlation of Experimental Liquid Liquid Equilibrium Data for Ternary Systems Using NRTL and GMDH-Type Neural Network