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Mixture of 2-DIETHYLAMINO-N-(2,6-XYLYL)ACETAMIDE + 5-Hydroxymethylfurfural + Thymol
Name
2-DIETHYLAMINO-N-(2,6-XYLYL)ACETAMIDE
InChI
InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
InChI Key
NNJVILVZKWQKPM-UHFFFAOYSA-N
Formula
C14H22N2O
SMILES
CCN(CC)CC(=O)Nc1c(C)cccc1C
Mol. Weight (g/mol)
234.34
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
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
Mass fraction
Mass fraction of 5-Hydroxymethylfurfural (2)
[ref]
Fixed
Measured
Solvent: Mole fraction of Thymol (3) - Liquid
Temperature, K - Liquid
Pressure, kPa - Liquid
Mass fraction of 5-Hydroxymethylfurfural (2) - Liquid
0.6670
303.00
101.00
0.8500
Sources
Thermodynamic properties of hydrophobic deep eutectic solvents and solubility of water and HMF in them: Measurements and PC-SAFT modeling
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