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Mixture of 1,2-Ethanediol + Octane + METHYLTRIPHENYLPHOSPHONIUM BROMIDE
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
Name
Octane
InChI
InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChI Key
TVMXDCGIABBOFY-UHFFFAOYSA-N
Formula
C8H18
SMILES
CCCCCCCC
Mol. Weight (g/mol)
114.23
CAS
111-65-9
Name
METHYLTRIPHENYLPHOSPHONIUM BROMIDE
InChI
InChI=1S/C19H18P.BrH/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
InChI Key
BKRKYEFQSANYGA-UHFFFAOYSA-N
Formula
C19H18BrP
SMILES
CP(Br)(c1ccccc1)(c1ccccc1)c1cc
ccc1
Mol. Weight (g/mol)
357.23
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Datasets
Mass fraction
Mass fraction of Octane (2)
[ref]
Fixed
Measured
Temperature, K - Liquid mixture 1
Pressure, kPa - Liquid mixture 1
Solvent: Mole fraction of METHYLTRIPHENYLPHOSPHONIUM BROMIDE (3) - Liquid mixture 1
Mass fraction of Octane (2) - Liquid mixture 1
298.00
101.00
0.2500
0.0010
Sources
Oil desulfurization using deep eutectic solvents as sustainable and economical extractants via liquid-liquid extraction: Experimental and PC-SAFT predictions
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