- Name
- Glycerin
- InChI
- InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
- InChI Key
- PEDCQBHIVMGVHV-UHFFFAOYSA-N
- Formula
- C3H8O3
- SMILES
- OCC(O)CO
- Mol. Weight (g/mol)
- 92.09
- CAS
- 56-81-5
- 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
- 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 Glycerin (1) - Liquid | Mass concentration, kg/m3 of Rofecoxib (3) - Liquid |
| 298.15 | 0.0000 | 0.0082 |
| 298.15 | 0.1000 | 0.0121 |
| 298.15 | 0.2000 | 0.0138 |
| 298.15 | 0.3000 | 0.0158 |
| 298.15 | 0.4000 | 0.0184 |
| 298.15 | 1.0000 | 0.0706 |
| 303.15 | 0.0000 | 0.0094 |
| 303.15 | 0.1000 | 0.0133 |
| 303.15 | 0.2000 | 0.0152 |
| 303.15 | 0.3000 | 0.0181 |
| 303.15 | 0.4000 | 0.0221 |
| 303.15 | 1.0000 | 0.0953 |
| 308.15 | 0.0000 | 0.0112 |
| 308.15 | 0.1000 | 0.0150 |
| 308.15 | 0.2000 | 0.0174 |
| 308.15 | 0.3000 | 0.0214 |
| 308.15 | 0.4000 | 0.0255 |
| 308.15 | 1.0000 | 0.1181 |
Mass concentration, kg/m3 of Rofecoxib (3) [ref]
Operational condition: Pressure, kPa = 101.325 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Solvent: Mass fraction of Glycerin (1) - Liquid | Mass concentration, kg/m3 of Rofecoxib (3) - Liquid |
| 298.15 | 0.0000 | 0.0082 |
| 298.15 | 0.1000 | 0.0121 |
| 298.15 | 0.2000 | 0.0138 |
| 298.15 | 0.3000 | 0.0158 |
| 298.15 | 0.4000 | 0.0184 |
| 298.15 | 1.0000 | 0.0706 |
| 303.15 | 0.0000 | 0.0094 |
| 303.15 | 0.1000 | 0.0133 |
| 303.15 | 0.2000 | 0.0152 |
| 303.15 | 0.3000 | 0.0181 |
| 303.15 | 0.4000 | 0.0221 |
| 303.15 | 1.0000 | 0.0953 |
| 308.15 | 0.0000 | 0.0112 |
| 308.15 | 0.1000 | 0.0150 |
| 308.15 | 0.2000 | 0.0174 |
| 308.15 | 0.3000 | 0.0214 |
| 308.15 | 0.4000 | 0.0255 |
| 308.15 | 1.0000 | 0.1181 |