- 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
- 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
- Niacinamide
- InChI
- InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
- InChI Key
- DFPAKSUCGFBDDF-UHFFFAOYSA-N
- Formula
- C6H6N2O
- SMILES
- N=C(O)c1cccnc1
- Mol. Weight (g/mol)
- 122.12
- CAS
- 98-92-0
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Datasets
Mass fraction of Niacinamide (3) [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mass fraction of Ibuprofen (1) - Liquid | Mass fraction of Niacinamide (3) - Liquid |
| 298.15 | 0.0000 | 0.1075 |
| 298.15 | 0.0491 | 0.1163 |
| 298.15 | 0.0818 | 0.1129 |
| 298.15 | 0.1287 | 0.1143 |
| 298.15 | 0.1801 | 0.1155 |
| 313.15 | 0.0000 | 0.1720 |
| 313.15 | 0.0314 | 0.1670 |
| 313.15 | 0.0735 | 0.1742 |
| 313.15 | 0.1260 | 0.1740 |
| 313.15 | 0.1988 | 0.1766 |
| 313.15 | 0.2511 | 0.1817 |
Mass fraction of Niacinamide (3) [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mass fraction of Ibuprofen (1) - Liquid | Mass fraction of Niacinamide (3) - Liquid |
| 298.15 | 0.5294 | 0.0348 |
| 298.15 | 0.5040 | 0.0000 |
| 313.15 | 0.6430 | 0.0604 |
| 313.15 | 0.6545 | 0.0000 |
Mass fraction of Niacinamide (3) [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mass fraction of Ibuprofen (1) - Liquid | Mass fraction of Niacinamide (3) - Liquid |
| 298.15 | 0.0000 | 0.1075 |
| 298.15 | 0.0491 | 0.1163 |
| 298.15 | 0.0818 | 0.1129 |
| 298.15 | 0.1287 | 0.1143 |
| 298.15 | 0.1801 | 0.1155 |
| 313.15 | 0.0000 | 0.1720 |
| 313.15 | 0.0314 | 0.1670 |
| 313.15 | 0.0735 | 0.1742 |
| 313.15 | 0.1260 | 0.1740 |
| 313.15 | 0.1988 | 0.1766 |
| 313.15 | 0.2511 | 0.1817 |
Mass fraction of Niacinamide (3) [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mass fraction of Ibuprofen (1) - Liquid | Mass fraction of Niacinamide (3) - Liquid |
| 298.15 | 0.5294 | 0.0348 |
| 298.15 | 0.5040 | 0.0000 |
| 313.15 | 0.6430 | 0.0604 |
| 313.15 | 0.6545 | 0.0000 |