- Name
- Methyl Alcohol
- InChI
- InChI=1S/CH4O/c1-2/h2H,1H3
- InChI Key
- OKKJLVBELUTLKV-UHFFFAOYSA-N
- Formula
- CH4O
- SMILES
- CO
- Mol. Weight (g/mol)
- 32.04
- CAS
- 67-56-1
- 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
- Name
- Rofecoxib
- InChI
- InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
- InChI Key
- RZJQGNCSTQAWON-UHFFFAOYSA-N
- Formula
- C17H14O4S
- SMILES
-
CS(=O)(=O)c1ccc(C2=C(c3ccccc3)
C(=O)OC2)cc1 - Mol. Weight (g/mol)
- 314.36
- CAS
- 162011-90-7
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
Mass concentration, kg/m3 of Rofecoxib (3) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Solvent: Mass fraction of Methyl Alcohol (1) - Liquid | Mass concentration, kg/m3 of Rofecoxib (3) - Liquid |
| 298.15 | 0.0000 | 0.0082 |
| 298.15 | 0.2000 | 0.0243 |
| 298.15 | 0.4000 | 0.1323 |
| 298.15 | 0.6000 | 0.5383 |
| 298.15 | 0.8000 | 1.22 |
| 298.15 | 1.0000 | 1.4 |
| 303.15 | 0.0000 | 0.0094 |
| 303.15 | 0.2000 | 0.0296 |
| 303.15 | 0.4000 | 0.1562 |
| 303.15 | 0.6000 | 0.7303 |
| 303.15 | 0.8000 | 1.509 |
| 303.15 | 1.0000 | 1.961 |
| 308.15 | 0.0000 | 0.0112 |
| 308.15 | 0.2000 | 0.0449 |
| 308.15 | 0.4000 | 0.2452 |
| 308.15 | 0.6000 | 0.9735 |
| 308.15 | 0.8000 | 1.977 |
| 308.15 | 1.0000 | 2.751 |
Mass concentration, kg/m3 of Rofecoxib (3) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Solvent: Mass fraction of Methyl Alcohol (1) - Liquid | Mass concentration, kg/m3 of Rofecoxib (3) - Liquid |
| 298.15 | 0.0000 | 0.0082 |
| 298.15 | 0.2000 | 0.0243 |
| 298.15 | 0.4000 | 0.1323 |
| 298.15 | 0.6000 | 0.5383 |
| 298.15 | 0.8000 | 1.22 |
| 298.15 | 1.0000 | 1.4 |
| 303.15 | 0.0000 | 0.0094 |
| 303.15 | 0.2000 | 0.0296 |
| 303.15 | 0.4000 | 0.1562 |
| 303.15 | 0.6000 | 0.7303 |
| 303.15 | 0.8000 | 1.509 |
| 303.15 | 1.0000 | 1.961 |
| 308.15 | 0.0000 | 0.0112 |
| 308.15 | 0.2000 | 0.0449 |
| 308.15 | 0.4000 | 0.2452 |
| 308.15 | 0.6000 | 0.9735 |
| 308.15 | 0.8000 | 1.977 |
| 308.15 | 1.0000 | 2.751 |