Mixture of 1-Undecanol + Butanoic acid + Water

Name: 1-Undecanol
InChI: InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
InChI Key: KJIOQYGWTQBHNH-UHFFFAOYSA-N
Formula: C11H24O
SMILES: CCCCCCCCCCCO
Mol. Weight (g/mol): 172.31
CAS: 112-42-5

Name: Butanoic acid
InChI: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChI Key: FERIUCNNQQJTOY-UHFFFAOYSA-N
Formula: C4H8O2
SMILES: CCCC(=O)O
Mol. Weight (g/mol): 88.11
CAS: 107-92-6

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

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

Mole fraction (4)

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 2)
Temperature, K = 298.15 (Liquid mixture 2)

Fixed	Measured
Mole fraction of 1-Undecanol (1) - Liquid mixture 2	Mole fraction of Butanoic acid (2) - Liquid mixture 2	Mole fraction of 1-Undecanol (1) - Liquid mixture 1	Mole fraction of Butanoic acid (2) - Liquid mixture 1
0.6209	0.1288	0.0007	0.0060
0.4745	0.2154	0.0007	0.0086
0.3499	0.3241	0.0008	0.0131
0.2560	0.3733	0.0008	0.0167
0.1758	0.4001	0.0009	0.0211
0.1251	0.4031	0.0009	0.0239
0.0759	0.3808	0.0011	0.0275
0.0368	0.3236	0.0012	0.0294

Mole fraction of 1-Undecanol (1) [ref]

Operational conditions:

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

Mole fraction of Butanoic acid (2) - Liquid mixture 1	Mole fraction of 1-Undecanol (1) - Liquid mixture 1
0.0000	0.0001
0.0001	0.7733
0.0106	0.0007
0.0338	0.0011
0.0615	0.0018
0.0870	0.6637
0.0933	0.0024
0.1380	0.0041
0.1861	0.0073
0.2143	0.5053
0.2645	0.0187
0.3002	0.3806
0.3430	0.0456
0.3614	0.2810
0.3879	0.0897
0.3928	0.2057
0.4013	0.1424

Mole fraction [ref]

Operational conditions:

Pressure, kPa = 101 (Liquid mixture 2)
Temperature, K = 298.15 (Liquid mixture 2)

Fixed	Measured
Mole fraction of 1-Undecanol (1) - Liquid mixture 2	Mole fraction of Butanoic acid (2) - Liquid mixture 2	Mole fraction of 1-Undecanol (1) - Liquid mixture 1	Mole fraction of Butanoic acid (2) - Liquid mixture 1
0.6209	0.1288	0.0007	0.0060
0.4745	0.2154	0.0007	0.0086
0.3499	0.3241	0.0008	0.0131
0.2560	0.3733	0.0008	0.0167
0.1758	0.4001	0.0009	0.0211
0.1251	0.4031	0.0009	0.0239
0.0759	0.3808	0.0011	0.0275
0.0368	0.3236	0.0012	0.0294

Mole fraction of 1-Undecanol (1) [ref]

Operational conditions:

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

Mole fraction of Butanoic acid (2) - Liquid mixture 1	Mole fraction of 1-Undecanol (1) - Liquid mixture 1
0.0000	0.0001
0.0001	0.7733
0.0106	0.0007
0.0338	0.0011
0.0615	0.0018
0.0870	0.6637
0.0933	0.0024
0.1380	0.0041
0.1861	0.0073
0.2143	0.5053
0.2645	0.0187
0.3002	0.3806
0.3430	0.0456
0.3614	0.2810
0.3879	0.0897
0.3928	0.2057
0.4013	0.1424

Sources

Ternary liquid-liquid phase equilibria of (water-carboxylic acid-1-undecanol) systems at 298.15 K