- Name
- D-Mannitol
- InChI
- InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
- InChI Key
- FBPFZTCFMRRESA-KVTDHHQDSA-N
- Formula
- C6H14O6
- SMILES
- OCC(O)C(O)C(O)C(O)CO
- Mol. Weight (g/mol)
- 182.17
- CAS
- 69-65-8
- 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
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Datasets
Mass concentration, kg/m3 of Rofecoxib (3) [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Solvent: Mass fraction of D-Mannitol (1) - Liquid | Mass concentration, kg/m3 of Rofecoxib (3) - Liquid |
| 298.15 | 0.0000 | 0.0082 |
| 298.15 | 0.0100 | 0.0137 |
| 298.15 | 0.0200 | 0.0140 |
| 298.15 | 0.0500 | 0.0142 |
| 298.15 | 0.1000 | 0.0143 |
| 303.15 | 0.0000 | 0.0095 |
| 303.15 | 0.0100 | 0.0143 |
| 303.15 | 0.0200 | 0.0144 |
| 303.15 | 0.0500 | 0.0145 |
| 303.15 | 0.1000 | 0.0147 |
| 308.15 | 0.0000 | 0.0113 |
| 308.15 | 0.0100 | 0.0145 |
| 308.15 | 0.0200 | 0.0146 |
| 308.15 | 0.0500 | 0.0147 |
| 308.15 | 0.1000 | 0.0148 |
Mass concentration, kg/m3 of Rofecoxib (3) [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Solvent: Mass fraction of D-Mannitol (1) - Liquid | Mass concentration, kg/m3 of Rofecoxib (3) - Liquid |
| 298.15 | 0.0000 | 0.0082 |
| 298.15 | 0.0100 | 0.0137 |
| 298.15 | 0.0200 | 0.0140 |
| 298.15 | 0.0500 | 0.0142 |
| 298.15 | 0.1000 | 0.0143 |
| 303.15 | 0.0000 | 0.0095 |
| 303.15 | 0.0100 | 0.0143 |
| 303.15 | 0.0200 | 0.0144 |
| 303.15 | 0.0500 | 0.0145 |
| 303.15 | 0.1000 | 0.0147 |
| 308.15 | 0.0000 | 0.0113 |
| 308.15 | 0.0100 | 0.0145 |
| 308.15 | 0.0200 | 0.0146 |
| 308.15 | 0.0500 | 0.0147 |
| 308.15 | 0.1000 | 0.0148 |