Mixture of 3-Heptanone, 6-methyl- + Propanoic acid + Water

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3-Heptanone, 6-methyl-

Name
3-Heptanone, 6-methyl-
InChI
InChI=1S/C8H16O/c1-4-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
InChI Key
CCCIYAQYQZQDIZ-UHFFFAOYSA-N
Formula
C8H16O
SMILES
CCC(=O)CCC(C)C
Mol. Weight (g/mol)
128.21
CAS
624-42-0

Propanoic acid

Name
Propanoic acid
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChI Key
XBDQKXXYIPTUBI-UHFFFAOYSA-N
Formula
C3H6O2
SMILES
CCC(=O)O
Mol. Weight (g/mol)
74.08
CAS
79-09-4

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 1 Mole fraction of Propanoic acid (2) - Liquid mixture 1 Mole fraction of Propanoic acid (2) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2
0.9994 0.0000 0.0000 0.0432
0.9768 0.0230 0.1779 0.0754
0.9583 0.0416 0.3000 0.1666
0.9337 0.0654 0.3594 0.3087
0.8953 0.1009 0.3519 0.4564

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Propanoic acid (2) - Liquid mixture 1 Mole fraction of Propanoic acid (2) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2
0.9994 0.0000 0.0000 0.0432
0.9768 0.0230 0.1779 0.0754
0.9583 0.0416 0.3000 0.1666
0.9337 0.0654 0.3594 0.3087
0.8953 0.1009 0.3519 0.4564

Sources