- Name
- 1-Propanol
- InChI
- InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
- InChI Key
- BDERNNFJNOPAEC-UHFFFAOYSA-N
- Formula
- C3H8O
- SMILES
- CCCO
- Mol. Weight (g/mol)
- 60.09
- CAS
- 71-23-8
- 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 |
|---|---|
| 288.01 | 0.0009 |
| 297.95 | 0.0014 |
| 308.01 | 0.0020 |
| 318.11 | 0.0031 |
| 328.09 | 0.0042 |
Mole fraction of Theophylline (2) [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Temperature, K - Liquid | Mole fraction of Theophylline (2) - Liquid |
|---|---|
| 288.01 | 0.0009 |
| 297.95 | 0.0014 |
| 308.01 | 0.0020 |
| 318.11 | 0.0031 |
| 328.09 | 0.0042 |