- Name
- Ibuprofen
- InChI
- InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
- InChI Key
- HEFNNWSXXWATRW-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- CC(C)Cc1ccc(C(C)C(=O)O)cc1
- Mol. Weight (g/mol)
- 206.28
- CAS
- 15687-27-1
- Name
- 1-Butanol, 3-methyl-
- InChI
- InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
- InChI Key
- PHTQWCKDNZKARW-UHFFFAOYSA-N
- Formula
- C5H12O
- SMILES
- CC(C)CCO
- Mol. Weight (g/mol)
- 88.15
- CAS
- 123-51-3
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Datasets
Mole fraction of Ibuprofen (1) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Temperature, K - Liquid | Mole fraction of Ibuprofen (1) - Liquid |
|---|---|
| 283.57 | 0.1206 |
| 288.61 | 0.1480 |
| 293.71 | 0.1821 |
| 297.95 | 0.2113 |
| 303.13 | 0.2527 |
| 308.17 | 0.2990 |
| 313.31 | 0.3525 |
| 318.83 | 0.4169 |
Mole fraction of Ibuprofen (1) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Temperature, K - Liquid | Mole fraction of Ibuprofen (1) - Liquid |
|---|---|
| 283.57 | 0.1206 |
| 288.61 | 0.1480 |
| 293.71 | 0.1821 |
| 297.95 | 0.2113 |
| 303.13 | 0.2527 |
| 308.17 | 0.2990 |
| 313.31 | 0.3525 |
| 318.83 | 0.4169 |