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

Excel

5-Hydroxymethylfurfural

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

n-Decanoic acid

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

Thymol

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
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Datasets

  1. 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