- 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
- caffeine
- InChI
- InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
- InChI Key
- RYYVLZVUVIJVGH-UHFFFAOYSA-N
- Formula
- C8H10N4O2
- SMILES
- Cn1c(=O)c2c(ncn2C)n(C)c1=O
- Mol. Weight (g/mol)
- 194.19
- CAS
- 58-08-2
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Datasets
Mole fraction of caffeine (2) [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Temperature, K - Liquid | Mole fraction of caffeine (2) - Liquid |
|---|---|
| 288.01 | 0.0008 |
| 298.11 | 0.0013 |
| 308.09 | 0.0020 |
| 318.11 | 0.0032 |
| 328.15 | 0.0047 |
Mole fraction of caffeine (2) [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Temperature, K - Liquid | Mole fraction of caffeine (2) - Liquid |
|---|---|
| 288.01 | 0.0008 |
| 298.11 | 0.0013 |
| 308.09 | 0.0020 |
| 318.11 | 0.0032 |
| 328.15 | 0.0047 |