- Name
- Pentanoic acid, 4-oxo-
- InChI
- InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
- InChI Key
- JOOXCMJARBKPKM-UHFFFAOYSA-N
- Formula
- C5H8O3
- SMILES
- CC(=O)CCC(=O)O
- Mol. Weight (g/mol)
- 116.12
- CAS
- 123-76-2
- Name
- Thymol
- InChI
- InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
- InChI Key
- MGSRCZKZVOBKFT-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- Cc1ccc(C(C)C)c(O)c1
- Mol. Weight (g/mol)
- 150.22
- CAS
- 89-83-8
- 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
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Datasets
Mass fraction [ref]
Operational conditions:
- Temperature, K = 295.15 (Liquid mixture 1)
- Pressure, kPa = 101 (Liquid mixture 2)
| Fixed | Measured | ||
|---|---|---|---|
| Mass fraction of Thymol (2) - Liquid mixture 2 | Mass fraction of Heptane (3) - Liquid mixture 2 | Mass fraction of Thymol (2) - Liquid mixture 1 | Mass fraction of Heptane (3) - Liquid mixture 1 |
| 0.4642 | 0.1703 | 0.0920 | 0.8873 |
| 0.4631 | 0.1683 | 0.0954 | 0.8825 |
| 0.4584 | 0.1702 | 0.0914 | 0.8847 |
Mass fraction [ref]
Operational conditions:
- Temperature, K = 295.15 (Liquid mixture 1)
- Pressure, kPa = 101 (Liquid mixture 2)
| Fixed | Measured | ||
|---|---|---|---|
| Mass fraction of Thymol (2) - Liquid mixture 2 | Mass fraction of Heptane (3) - Liquid mixture 2 | Mass fraction of Thymol (2) - Liquid mixture 1 | Mass fraction of Heptane (3) - Liquid mixture 1 |
| 0.4642 | 0.1703 | 0.0920 | 0.8873 |
| 0.4631 | 0.1683 | 0.0954 | 0.8825 |
| 0.4584 | 0.1702 | 0.0914 | 0.8847 |