Mixture of 1-Octanol + Hexanoic acid + Water

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: Hexanoic acid
InChI: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChI Key: FUZZWVXGSFPDMH-UHFFFAOYSA-N
Formula: C6H12O2
SMILES: CCCCCC(=O)O
Mol. Weight (g/mol): 116.16
CAS: 142-62-1

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 Hexanoic acid (2) [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 Hexanoic acid (2) - Liquid mixture 1
0.1477	0.0000
0.1681	0.0955
0.1741	0.1331
0.1806	0.2151
0.1874	0.2905
0.1989	0.3582
0.2044	0.4236
0.2145	0.5073
0.2209	0.6011
0.2247	0.6825
0.2283	0.7508
0.2353	0.7647
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 Hexanoic acid (2) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Hexanoic acid (2) - Liquid mixture 2
0.0007	0.9985	0.1795	0.1206
0.0012	0.9982	0.1915	0.2342
0.0014	0.9981	0.2022	0.3368
0.0015	0.9980	0.2087	0.4159
0.0017	0.9980	0.2173	0.5182
0.0018	0.9979	0.2237	0.5771
0.0019	0.9978	0.2279	0.6586

Mole fraction of Hexanoic acid (2) [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 Hexanoic acid (2) - Liquid mixture 1
0.1477	0.0000
0.1681	0.0955
0.1741	0.1331
0.1806	0.2151
0.1874	0.2905
0.1989	0.3582
0.2044	0.4236
0.2145	0.5073
0.2209	0.6011
0.2247	0.6825
0.2283	0.7508
0.2353	0.7647
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 Hexanoic acid (2) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Hexanoic acid (2) - Liquid mixture 2
0.0007	0.9985	0.1795	0.1206
0.0012	0.9982	0.1915	0.2342
0.0014	0.9981	0.2022	0.3368
0.0015	0.9980	0.2087	0.4159
0.0017	0.9980	0.2173	0.5182
0.0018	0.9979	0.2237	0.5771
0.0019	0.9978	0.2279	0.6586

Sources

Liquid-liquid equilibria for ternary systems of (water + carboxylic acid + 1-octanol) at 293.15 K: modeling phase equilibria using a solvatochromic approach