- 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
- Theobromine
- InChI
- InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
- InChI Key
- YAPQBXQYLJRXSA-UHFFFAOYSA-N
- Formula
- C7H8N4O2
- SMILES
- Cn1cnc2c1c(=O)[nH]c(=O)n2C
- Mol. Weight (g/mol)
- 180.16
- CAS
- 83-67-0
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Datasets
Mole fraction of Theobromine (2) [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Temperature, K - Liquid | Mole fraction of Theobromine (2) - Liquid |
|---|---|
| 288.15 | 0.0000 |
| 298.20 | 0.0000 |
| 308.19 | 0.0000 |
| 318.16 | 0.0001 |
| 328.16 | 0.0001 |
Mole fraction of Theobromine (2) [ref]
Operational condition: Pressure, kPa = 100 (Liquid)
| Temperature, K - Liquid | Mole fraction of Theobromine (2) - Liquid |
|---|---|
| 288.15 | 0.0000 |
| 298.20 | 0.0000 |
| 308.19 | 0.0000 |
| 318.16 | 0.0001 |
| 328.16 | 0.0001 |