Mixture of Acetonitrile + Heptanoic acid + Water

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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

Heptanoic acid

Name
Heptanoic acid
InChI
InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChI Key
MNWFXJYAOYHMED-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CCCCCCC(=O)O
Mol. Weight (g/mol)
130.18
CAS
111-14-8

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 Water (3) - Liquid mixture 2 Mole fraction of Heptanoic acid (2) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Heptanoic acid (2) - Liquid mixture 1
0.9984 0.0016 0.2953 0.7047
0.9891 0.0017 0.3309 0.6366
0.9787 0.0019 0.3839 0.5386
0.9693 0.0021 0.4109 0.4739
0.9579 0.0024 0.4486 0.3839
0.9407 0.0036 0.4826 0.2823
0.9086 0.0040 0.5385 0.1489

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Heptanoic acid (2) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Heptanoic acid (2) - Liquid mixture 1
0.9984 0.0016 0.2953 0.7047
0.9891 0.0017 0.3309 0.6366
0.9787 0.0019 0.3839 0.5386
0.9693 0.0021 0.4109 0.4739
0.9579 0.0024 0.4486 0.3839
0.9407 0.0036 0.4826 0.2823
0.9086 0.0040 0.5385 0.1489

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