- 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
- 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
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Datasets
Mole fraction of caffeine (1) [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Temperature, K - Liquid | Mole fraction of caffeine (1) - Liquid |
|---|---|
| 288.24 | 0.0028 |
| 298.09 | 0.0036 |
| 308.21 | 0.0053 |
| 318.15 | 0.0073 |
| 328.18 | 0.0095 |
Mole fraction of caffeine (1) [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Temperature, K - Liquid | Mole fraction of caffeine (1) - Liquid |
|---|---|
| 288.24 | 0.0028 |
| 298.09 | 0.0036 |
| 308.21 | 0.0053 |
| 318.15 | 0.0073 |
| 328.18 | 0.0095 |