- Name
- 2-Hexanone, 5-methyl-
- InChI
- InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
- InChI Key
- FFWSICBKRCICMR-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- CC(=O)CCC(C)C
- Mol. Weight (g/mol)
- 114.19
- CAS
- 110-12-3
- 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 2 | Mole fraction of Propanoic acid (2) - Liquid mixture 2 | Mole fraction of Water (3) - Liquid mixture 1 | Mole fraction of Propanoic acid (2) - Liquid mixture 1 |
| 0.0236 | 0.0000 | 0.9972 | 0.0000 |
| 0.1395 | 0.2024 | 0.9808 | 0.0179 |
| 0.2795 | 0.2844 | 0.9612 | 0.0384 |
| 0.4287 | 0.3051 | 0.9423 | 0.0575 |
| 0.5479 | 0.2910 | 0.9199 | 0.0792 |
| 0.6407 | 0.2665 | 0.9068 | 0.0928 |
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 2 | Mole fraction of Propanoic acid (2) - Liquid mixture 2 | Mole fraction of Water (3) - Liquid mixture 1 | Mole fraction of Propanoic acid (2) - Liquid mixture 1 |
| 0.0236 | 0.0000 | 0.9972 | 0.0000 |
| 0.1395 | 0.2024 | 0.9808 | 0.0179 |
| 0.2795 | 0.2844 | 0.9612 | 0.0384 |
| 0.4287 | 0.3051 | 0.9423 | 0.0575 |
| 0.5479 | 0.2910 | 0.9199 | 0.0792 |
| 0.6407 | 0.2665 | 0.9068 | 0.0928 |