Mixture of n-Hexane + Acetonitrile + Water

Excel

n-Hexane

Name
n-Hexane
InChI
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChI Key
VLKZOEOYAKHREP-UHFFFAOYSA-N
Formula
C6H14
SMILES
CCCCCC
Mol. Weight (g/mol)
86.18
CAS
110-54-3

Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8

Water

Name
Water
InChI
InChI=1S/H2O/h1H2
InChI Key
XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula
H2O
SMILES
O
Mol. Weight (g/mol)
18.02
CAS
7732-18-5
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Datasets

  1. Mole fraction (2)

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of n-Hexane (1) - Liquid mixture 1 Mole fraction of Acetonitrile (2) - Liquid mixture 1 Mole fraction of n-Hexane (1) - Liquid mixture 2 Mole fraction of Acetonitrile (2) - Liquid mixture 2
0.9663 0.0324 0.0001 0.2801
0.9672 0.0315 0.0002 0.1384
0.9756 0.0235 0.0108 0.4954
0.9675 0.0315 0.0107 0.4219
0.9725 0.0253 0.0162 0.5074
0.9688 0.0296 0.0224 0.5703
0.9371 0.0614 0.0354 0.7149
0.9533 0.0451 0.0465 0.7134
0.9994 0.0000 0.0000 0.0000
0.8815 0.1185 0.1205 0.8795
0.9035 0.0965 0.1286 0.8714
0.9724 0.0276 0.1332 0.8668

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of n-Hexane (1) - Liquid mixture 1 Mole fraction of Acetonitrile (2) - Liquid mixture 1 Mole fraction of n-Hexane (1) - Liquid mixture 2 Mole fraction of Acetonitrile (2) - Liquid mixture 2
0.9663 0.0324 0.0001 0.2801
0.9672 0.0315 0.0002 0.1384
0.9756 0.0235 0.0108 0.4954
0.9675 0.0315 0.0107 0.4219
0.9725 0.0253 0.0162 0.5074
0.9688 0.0296 0.0224 0.5703
0.9371 0.0614 0.0354 0.7149
0.9533 0.0451 0.0465 0.7134
0.9994 0.0000 0.0000 0.0000
0.8815 0.1185 0.1205 0.8795
0.9035 0.0965 0.1286 0.8714
0.9724 0.0276 0.1332 0.8668

Sources