- Name
- 4-Heptanone, 2,6-dimethyl-
- InChI
- InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
- InChI Key
- PTTPXKJBFFKCEK-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CC(C)CC(=O)CC(C)C
- Mol. Weight (g/mol)
- 142.24
- CAS
- 108-83-8
- 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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Datasets
Mole fraction [ref]
Operational conditions:
- Pressure, kPa = 101 (Liquid mixture 1)
- Temperature, K = 298.2 (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 |
| 0.9997 | 0.0000 | 0.0000 | 0.0063 |
| 0.9722 | 0.0257 | 0.1765 | 0.1516 |
| 0.9499 | 0.0485 | 0.3308 | 0.1756 |
| 0.9215 | 0.0778 | 0.4082 | 0.2652 |
| 0.8790 | 0.1209 | 0.3967 | 0.3962 |
| 0.8238 | 0.1739 | 0.3464 | 0.5417 |
Mole fraction [ref]
Operational conditions:
- Pressure, kPa = 101 (Liquid mixture 1)
- Temperature, K = 298.2 (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 |
| 0.9997 | 0.0000 | 0.0000 | 0.0063 |
| 0.9722 | 0.0257 | 0.1765 | 0.1516 |
| 0.9499 | 0.0485 | 0.3308 | 0.1756 |
| 0.9215 | 0.0778 | 0.4082 | 0.2652 |
| 0.8790 | 0.1209 | 0.3967 | 0.3962 |
| 0.8238 | 0.1739 | 0.3464 | 0.5417 |