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Mixture of Tetra-N-butylammonium chloride + Benzene + 1,2-Ethanediol
Name
Tetra-N-butylammonium chloride
InChI
InChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
InChI Key
NHGXDBSUJJNIRV-UHFFFAOYSA-M
Formula
C16H36ClN
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]
Mol. Weight (g/mol)
277.92
CAS
1112-67-0
Name
Benzene
InChI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChI Key
UHOVQNZJYSORNB-UHFFFAOYSA-N
Formula
C6H6
SMILES
c1ccccc1
Mol. Weight (g/mol)
78.11
CAS
71-43-2
Name
1,2-Ethanediol
InChI
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI Key
LYCAIKOWRPUZTN-UHFFFAOYSA-N
Formula
C2H6O2
SMILES
OCCO
Mol. Weight (g/mol)
62.07
CAS
107-21-1
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Datasets
Mass fraction
Mass fraction of Benzene (2)
[ref]
Fixed
Measured
Solvent: Mole fraction of 1,2-Ethanediol (3) - Liquid mixture 1
Temperature, K - Liquid mixture 1
Pressure, kPa - Liquid mixture 1
Mass fraction of Benzene (2) - Liquid mixture 1
0.6670
298.20
101.00
0.6490
Sources
Experimental determination of the LLE data of systems consisting of {hexane + benzene + deep eutectic solvent} and prediction using the Conductor-like Screening Model for Real Solvents
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