- Name
- Pentanoic acid, 4-oxo-
- InChI
- InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
- InChI Key
- JOOXCMJARBKPKM-UHFFFAOYSA-N
- Formula
- C5H8O3
- SMILES
- CC(=O)CCC(=O)O
- Mol. Weight (g/mol)
- 116.12
- CAS
- 123-76-2
- Name
- Cyclohexanone
- InChI
- InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
- InChI Key
- JHIVVAPYMSGYDF-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- O=C1CCCCC1
- Mol. Weight (g/mol)
- 98.14
- CAS
- 108-94-1
- 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
Mass fraction [ref]
Operational conditions:
- Pressure, kPa = 101.35 (Liquid mixture 1)
- Temperature, K = 298.2 (Liquid mixture 1)
| Fixed | Measured | ||
|---|---|---|---|
| Mass fraction of Water (3) - Liquid mixture 1 | Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1 | Mass fraction of Water (3) - Liquid mixture 2 | Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2 |
| 0.9115 | 0.0000 | 0.0596 | 0.0000 |
| 0.8655 | 0.0580 | 0.0526 | 0.0212 |
| 0.7733 | 0.1377 | 0.0605 | 0.0578 |
| 0.6779 | 0.2091 | 0.0883 | 0.1037 |
| 0.5644 | 0.2945 | 0.1194 | 0.1620 |
Mass fraction [ref]
Operational conditions:
- Pressure, kPa = 101.35 (Liquid mixture 1)
- Temperature, K = 298.2 (Liquid mixture 1)
| Fixed | Measured | ||
|---|---|---|---|
| Mass fraction of Water (3) - Liquid mixture 1 | Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 1 | Mass fraction of Water (3) - Liquid mixture 2 | Mass fraction of Pentanoic acid, 4-oxo- (1) - Liquid mixture 2 |
| 0.9115 | 0.0000 | 0.0596 | 0.0000 |
| 0.8655 | 0.0580 | 0.0526 | 0.0212 |
| 0.7733 | 0.1377 | 0.0605 | 0.0578 |
| 0.6779 | 0.2091 | 0.0883 | 0.1037 |
| 0.5644 | 0.2945 | 0.1194 | 0.1620 |