- Name
- Propylene Glycol
- InChI
- InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
- InChI Key
- DNIAPMSPPWPWGF-UHFFFAOYSA-N
- Formula
- C3H8O2
- SMILES
- CC(O)CO
- Mol. Weight (g/mol)
- 76.09
- CAS
- 57-55-6
- 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 = 101.325 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Solvent: Mass fraction of Propylene Glycol (1) - Liquid | Mass concentration, kg/m3 of Rofecoxib (3) - Liquid |
| 298.15 | 0.0000 | 0.0082 |
| 298.15 | 0.1000 | 0.0203 |
| 298.15 | 0.2000 | 0.0308 |
| 298.15 | 0.3000 | 0.0486 |
| 298.15 | 0.4000 | 0.0701 |
| 298.15 | 1.0000 | 0.1708 |
| 303.15 | 0.0000 | 0.0094 |
| 303.15 | 0.1000 | 0.0251 |
| 303.15 | 0.2000 | 0.0360 |
| 303.15 | 0.3000 | 0.0600 |
| 303.15 | 0.4000 | 0.0852 |
| 303.15 | 1.0000 | 0.1906 |
| 308.15 | 0.0000 | 0.0112 |
| 308.15 | 0.1000 | 0.0288 |
| 308.15 | 0.2000 | 0.0421 |
| 308.15 | 0.3000 | 0.0663 |
| 308.15 | 0.4000 | 0.0975 |
| 308.15 | 1.0000 | 0.2265 |
Mass concentration, kg/m3 of Rofecoxib (3) [ref]
Operational condition: Pressure, kPa = 101.325 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Solvent: Mass fraction of Propylene Glycol (1) - Liquid | Mass concentration, kg/m3 of Rofecoxib (3) - Liquid |
| 298.15 | 0.0000 | 0.0082 |
| 298.15 | 0.1000 | 0.0203 |
| 298.15 | 0.2000 | 0.0308 |
| 298.15 | 0.3000 | 0.0486 |
| 298.15 | 0.4000 | 0.0701 |
| 298.15 | 1.0000 | 0.1708 |
| 303.15 | 0.0000 | 0.0094 |
| 303.15 | 0.1000 | 0.0251 |
| 303.15 | 0.2000 | 0.0360 |
| 303.15 | 0.3000 | 0.0600 |
| 303.15 | 0.4000 | 0.0852 |
| 303.15 | 1.0000 | 0.1906 |
| 308.15 | 0.0000 | 0.0112 |
| 308.15 | 0.1000 | 0.0288 |
| 308.15 | 0.2000 | 0.0421 |
| 308.15 | 0.3000 | 0.0663 |
| 308.15 | 0.4000 | 0.0975 |
| 308.15 | 1.0000 | 0.2265 |