- Name
- Atenolol
- InChI
- InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
- InChI Key
- METKIMKYRPQLGS-UHFFFAOYSA-N
- Formula
- C14H22N2O3
- SMILES
- CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
- Mol. Weight (g/mol)
- 266.34
- CAS
- 29122-68-7
- Name
- 1-Octanol
- InChI
- InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
- InChI Key
- KBPLFHHGFOOTCA-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCCCCCCCO
- Mol. Weight (g/mol)
- 130.23
- CAS
- 111-87-5
- 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
Temperature, K x Mass fraction [ref]
Operational condition: Pressure, kPa = 101 (Liquid mixture 2)
| Fixed | Measured | |||
|---|---|---|---|---|
| Temperature, K - Liquid mixture 2 | Mass fraction of 1-Octanol (2) - Liquid mixture 1 | Mass fraction of Atenolol (1) - Liquid mixture 1 | Mass fraction of Atenolol (1) - Liquid mixture 2 | Mass fraction of 1-Octanol (2) - Liquid mixture 2 |
| 298.15 | 0.9503 | 0.0000 | 0.0001 | 0.0004 |
| 298.15 | 0.9503 | 0.0000 | 0.0000 | 0.0004 |
| 298.15 | 0.9503 | 3.0000e-06 | 0.0000 | 0.0004 |
| 303.15 | 0.9497 | 0.0000 | 0.0000 | 0.0005 |
| 303.15 | 0.9497 | 0.0000 | 0.0000 | 0.0005 |
| 303.15 | 0.9497 | 4.0000e-06 | 0.0000 | 0.0005 |
| 314.15 | 0.9493 | 0.0000 | 0.0001 | 0.0005 |
| 314.15 | 0.9493 | 0.0000 | 0.0000 | 0.0005 |
| 314.15 | 0.9493 | 4.0000e-06 | 0.0000 | 0.0005 |