Mixture of Heptane + Pentanoic acid + Water

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Heptane

Name
Heptane
InChI
InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
InChI Key
IMNFDUFMRHMDMM-UHFFFAOYSA-N
Formula
C7H16
SMILES
CCCCCCC
Mol. Weight (g/mol)
100.20
CAS
142-82-5

Pentanoic acid

Name
Pentanoic acid
InChI
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CCCCC(=O)O
Mol. Weight (g/mol)
102.13
CAS
109-52-4

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 2 Mole fraction of Pentanoic acid (2) - Liquid mixture 2 Mole fraction of Pentanoic acid (2) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1
0.9962 0.0038 0.1520 0.0136
0.9959 0.0041 0.2558 0.0229
0.9953 0.0047 0.3725 0.0469
0.9950 0.0050 0.4546 0.0597
0.9948 0.0052 0.5147 0.0871
0.9945 0.0055 0.5950 0.1015
0.9943 0.0057 0.6243 0.1494
0.9940 0.0060 0.6202 0.2117
0.9937 0.0063 0.6165 0.2752
0.9935 0.0065 0.5838 0.3582
0.9932 0.0068 0.5586 0.4187

Mole fraction [ref]

Operational conditions:

Fixed Measured
Mole fraction of Water (3) - Liquid mixture 2 Mole fraction of Pentanoic acid (2) - Liquid mixture 2 Mole fraction of Pentanoic acid (2) - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1
0.9962 0.0038 0.1520 0.0136
0.9959 0.0041 0.2558 0.0229
0.9953 0.0047 0.3725 0.0469
0.9950 0.0050 0.4546 0.0597
0.9948 0.0052 0.5147 0.0871
0.9945 0.0055 0.5950 0.1015
0.9943 0.0057 0.6243 0.1494
0.9940 0.0060 0.6202 0.2117
0.9937 0.0063 0.6165 0.2752
0.9935 0.0065 0.5838 0.3582
0.9932 0.0068 0.5586 0.4187

Sources