- Name
- Valdecoxib
- InChI
- InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
- InChI Key
- LNPDTQAFDNKSHK-UHFFFAOYSA-N
- Formula
- C16H14N2O3S
- SMILES
-
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)
(=O)=O)cc1 - Mol. Weight (g/mol)
- 314.37
- Name
- Ethanol
- InChI
- InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChI Key
- LFQSCWFLJHTTHZ-UHFFFAOYSA-N
- Formula
- C2H6O
- SMILES
- CCO
- Mol. Weight (g/mol)
- 46.07
- CAS
- 64-17-5
- 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
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Datasets
Mass concentration, kg/m3 of Valdecoxib (1) [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Solvent: Mass fraction of Ethanol (2) - Liquid | Mass concentration, kg/m3 of Valdecoxib (1) - Liquid |
| 298.15 | 0.0000 | 0.0103 |
| 298.15 | 0.2000 | 0.1250 |
| 298.15 | 0.4000 | 3.092 |
| 298.15 | 0.6000 | 6.639 |
| 298.15 | 0.8000 | 14.289 |
| 298.15 | 1.0000 | 9.645 |
| 303.15 | 0.0000 | 0.0104 |
| 303.15 | 0.2000 | 0.2230 |
| 303.15 | 0.4000 | 4.18 |
| 303.15 | 0.6000 | 9.791 |
| 303.15 | 0.8000 | 16.133 |
| 303.15 | 1.0000 | 13.557 |
| 308.15 | 0.0000 | 0.0111 |
| 308.15 | 0.2000 | 0.2480 |
| 308.15 | 0.4000 | 5.698 |
| 308.15 | 0.6000 | 14.334 |
| 308.15 | 0.8000 | 20.973 |
| 308.15 | 1.0000 | 15.491 |
Mass concentration, kg/m3 of Valdecoxib (1) [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Solvent: Mass fraction of Ethanol (2) - Liquid | Mass concentration, kg/m3 of Valdecoxib (1) - Liquid |
| 298.15 | 0.0000 | 0.0103 |
| 298.15 | 0.2000 | 0.1250 |
| 298.15 | 0.4000 | 3.092 |
| 298.15 | 0.6000 | 6.639 |
| 298.15 | 0.8000 | 14.289 |
| 298.15 | 1.0000 | 9.645 |
| 303.15 | 0.0000 | 0.0104 |
| 303.15 | 0.2000 | 0.2230 |
| 303.15 | 0.4000 | 4.18 |
| 303.15 | 0.6000 | 9.791 |
| 303.15 | 0.8000 | 16.133 |
| 303.15 | 1.0000 | 13.557 |
| 308.15 | 0.0000 | 0.0111 |
| 308.15 | 0.2000 | 0.2480 |
| 308.15 | 0.4000 | 5.698 |
| 308.15 | 0.6000 | 14.334 |
| 308.15 | 0.8000 | 20.973 |
| 308.15 | 1.0000 | 15.491 |
Sources
Note: These property values are available through the Cheméo API. A free account gives you an access key.