- Name
- Toluene
- InChI
- InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
- InChI Key
- YXFVVABEGXRONW-UHFFFAOYSA-N
- Formula
- C7H8
- SMILES
- Cc1ccccc1
- Mol. Weight (g/mol)
- 92.14
- CAS
- 108-88-3
- Name
- Heptane
- InChI
- InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
- InChI Key
- IMNFDUFMRHMDMM-UHFFFAOYSA-N
- Formula
- C7H16
- SMILES
- CCCCCCC
- Mol. Weight (g/mol)
- 100.20
- CAS
- 142-82-5
- Name
- Water
- InChI
- InChI=1S/H2O/h1H2
- InChI Key
- XLYOFNOQVPJJNP-UHFFFAOYSA-N
- Formula
- H2O
- SMILES
- O
- Mol. Weight (g/mol)
- 18.02
- CAS
- 7732-18-5
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Datasets
Mole fraction [ref]
Operational conditions:
- Temperature, K = 298.15 (Liquid mixture 1)
- Pressure, kPa = 101.3 (Liquid mixture 1)
| Fixed | Measured | ||
|---|---|---|---|
| Mole fraction of Heptane (2) - Liquid mixture 1 | Mole fraction of Water (3) - Liquid mixture 1 | Mole fraction of Water (3) - Liquid mixture 2 | Mole fraction of Heptane (2) - Liquid mixture 2 |
| 0.9993 | 0.0007 | 1.0000 | 0.0000 |
| 0.7911 | 0.0000 | 1.0000 | 0.0000 |
| 0.6591 | 0.0000 | 1.0000 | 0.0000 |
| 0.4874 | 0.0000 | 1.0000 | 0.0000 |
| 0.5680 | 0.0000 | 1.0000 | 0.0000 |
| 0.4306 | 0.0000 | 1.0000 | 0.0000 |
| 0.3825 | 0.0000 | 1.0000 | 0.0000 |
| 0.3624 | 0.0000 | 1.0000 | 0.0000 |
| 0.3329 | 0.0000 | 1.0000 | 0.0000 |
| 0.2657 | 0.0000 | 1.0000 | 0.0000 |
| 0.2065 | 0.0000 | 1.0000 | 0.0000 |
| 0.0000 | 0.0023 | 1.0000 | 0.0000 |
Mole fraction [ref]
Operational conditions:
- Temperature, K = 298.15 (Liquid mixture 1)
- Pressure, kPa = 101.3 (Liquid mixture 1)
| Fixed | Measured | ||
|---|---|---|---|
| Mole fraction of Heptane (2) - Liquid mixture 1 | Mole fraction of Water (3) - Liquid mixture 1 | Mole fraction of Water (3) - Liquid mixture 2 | Mole fraction of Heptane (2) - Liquid mixture 2 |
| 0.9993 | 0.0007 | 1.0000 | 0.0000 |
| 0.7911 | 0.0000 | 1.0000 | 0.0000 |
| 0.6591 | 0.0000 | 1.0000 | 0.0000 |
| 0.4874 | 0.0000 | 1.0000 | 0.0000 |
| 0.5680 | 0.0000 | 1.0000 | 0.0000 |
| 0.4306 | 0.0000 | 1.0000 | 0.0000 |
| 0.3825 | 0.0000 | 1.0000 | 0.0000 |
| 0.3624 | 0.0000 | 1.0000 | 0.0000 |
| 0.3329 | 0.0000 | 1.0000 | 0.0000 |
| 0.2657 | 0.0000 | 1.0000 | 0.0000 |
| 0.2065 | 0.0000 | 1.0000 | 0.0000 |
| 0.0000 | 0.0023 | 1.0000 | 0.0000 |