Mixture of Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1«alpha»,2«beta»,5«alpha»)- + n-Decanoic acid + Water

Name: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1«alpha»,2«beta»,5«alpha»)-
InChI: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChI Key: NOOLISFMXDJSKH-KXUCPTDWSA-N
Formula: C10H20O
SMILES: CC1CCC(C(C)C)C(O)C1
Mol. Weight (g/mol): 156.27
CAS: 89-78-1

Name: n-Decanoic acid
InChI: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChI Key: GHVNFZFCNZKVNT-UHFFFAOYSA-N
Formula: C10H20O2
SMILES: CCCCCCCCCC(=O)O
Mol. Weight (g/mol): 172.26
CAS: 334-48-5

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

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

Mass fraction (3)

Mass fraction of Water (3) [ref]

Fixed			Measured
Solvent: Mole fraction of n-Decanoic acid (2) - Liquid	Temperature, K - Liquid	Pressure, kPa - Liquid	Mass fraction of Water (3) - Liquid
0.5000	298.00	101.00	0.0216

Mass fraction of Water (3) [ref]

Operational conditions:

Solvent: Mole fraction = 0.5 (Liquid)
Temperature, K = 298 (Liquid)
Pressure, kPa = 101 (Liquid)

Mass fraction of Water (3) - Liquid
0.0217
0.0216

Mass fraction of Water (3) [ref]

Fixed			Measured
Solvent: Mole fraction of n-Decanoic acid (2) - Liquid	Temperature, K - Liquid	Pressure, kPa - Liquid	Mass fraction of Water (3) - Liquid
0.5000	298.00	101.00	0.0216

Sources

Thermodynamic properties of hydrophobic deep eutectic solvents and solubility of water and HMF in them: Measurements and PC-SAFT modeling

Note: These property values are available through the Cheméo API. A free account gives you an access key.