- 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
- 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
- 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
Mole fraction [ref]
Operational conditions:
- Temperature, K = 298.2 (Liquid mixture 1)
- Pressure, kPa = 101 (Liquid mixture 1)
| 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:
- Temperature, K = 298.2 (Liquid mixture 1)
- Pressure, kPa = 101 (Liquid mixture 1)
| 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 |