Mixture of 5-Hydroxymethylfurfural + n-Decanoic acid + Thymol

Name: 5-Hydroxymethylfurfural
InChI: InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2
InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N
Formula: C6H6O3
SMILES: O=Cc1ccc(CO)o1
Mol. Weight (g/mol): 126.11
CAS: 67-47-0

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: Thymol
InChI: InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
InChI Key: MGSRCZKZVOBKFT-UHFFFAOYSA-N
Formula: C10H14O
SMILES: Cc1ccc(C(C)C)c(O)c1
Mol. Weight (g/mol): 150.22
CAS: 89-83-8

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 (2)

Mass fraction of 5-Hydroxymethylfurfural (1) [ref]

Fixed			Measured
Solvent: Mole fraction of n-Decanoic acid (2) - Liquid	Temperature, K - Liquid	Pressure, kPa - Liquid	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid
0.5000	303.00	101.00	0.8000

Mass fraction of 5-Hydroxymethylfurfural (1) [ref]

Fixed			Measured
Solvent: Mole fraction of n-Decanoic acid (2) - Liquid	Temperature, K - Liquid	Pressure, kPa - Liquid	Mass fraction of 5-Hydroxymethylfurfural (1) - Liquid
0.5000	303.00	101.00	0.8000

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.