- Name
- Acetone
- InChI
- InChI=1S/C3H6O/c1-3(2)4/h1-2H3
- InChI Key
- CSCPPACGZOOCGX-UHFFFAOYSA-N
- Formula
- C3H6O
- SMILES
- CC(C)=O
- Mol. Weight (g/mol)
- 58.08
- CAS
- 67-64-1
- Name
- Theophylline
- InChI
- InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
- InChI Key
- ZFXYFBGIUFBOJW-UHFFFAOYSA-N
- Formula
- C7H8N4O2
- SMILES
- Cn1c(=O)c2[nH]cnc2n(C)c1=O
- Mol. Weight (g/mol)
- 180.16
- CAS
- 58-55-9
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Datasets
Mole fraction of Theophylline (2) [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Temperature, K - Liquid | Mole fraction of Theophylline (2) - Liquid |
|---|---|
| 288.02 | 0.0007 |
| 298.15 | 0.0009 |
| 308.15 | 0.0012 |
| 318.15 | 0.0015 |
| 328.10 | 0.0018 |
Mole fraction of Theophylline (2) [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Temperature, K - Liquid | Mole fraction of Theophylline (2) - Liquid |
|---|---|
| 288.02 | 0.0007 |
| 298.15 | 0.0009 |
| 308.15 | 0.0012 |
| 318.15 | 0.0015 |
| 328.10 | 0.0018 |