- Name
- Acetic acid
- InChI
- InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
- InChI Key
- QTBSBXVTEAMEQO-UHFFFAOYSA-N
- Formula
- C2H4O2
- SMILES
- CC(=O)O
- Mol. Weight (g/mol)
- 60.05
- CAS
- 64-19-7
- Name
- Acetic acid, hexyl ester
- InChI
- InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
- InChI Key
- AOGQPLXWSUTHQB-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCCCCCOC(C)=O
- Mol. Weight (g/mol)
- 144.21
- CAS
- 142-92-7
- 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
Temperature, K x Mole fraction [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid mixture 1)
| Fixed | Measured | |||
|---|---|---|---|---|
| Temperature, K - Liquid mixture 1 | Mole fraction of Water (3) - Liquid mixture 1 | Mole fraction of Acetic acid (1) - Liquid mixture 1 | Mole fraction of Acetic acid (1) - Liquid mixture 2 | Mole fraction of Water (3) - Liquid mixture 2 |
| 283.16 | 0.9436 | 0.0562 | 0.0732 | 0.0732 |
| 283.16 | 0.8989 | 0.1005 | 0.1371 | 0.1133 |
| 283.16 | 0.8473 | 0.1513 | 0.2032 | 0.1542 |
| 283.16 | 0.7966 | 0.1993 | 0.2646 | 0.2086 |
| 283.16 | 0.7317 | 0.2578 | 0.3216 | 0.2835 |
| 298.14 | 0.9448 | 0.0550 | 0.0723 | 0.0831 |
| 298.14 | 0.8914 | 0.1080 | 0.1498 | 0.1319 |
| 298.14 | 0.8384 | 0.1592 | 0.2202 | 0.1840 |
| 298.14 | 0.7710 | 0.2224 | 0.2781 | 0.2402 |
| 318.15 | 0.9989 | 0.0011 | 0.0024 | 0.0547 |
| 318.15 | 0.9446 | 0.0552 | 0.0742 | 0.1009 |
| 318.15 | 0.8819 | 0.1171 | 0.1601 | 0.1585 |
| 318.15 | 0.8420 | 0.1556 | 0.2025 | 0.1882 |
| 318.15 | 0.7821 | 0.2112 | 0.2628 | 0.2431 |
| 318.15 | 0.7174 | 0.2647 | 0.3134 | 0.3175 |
Temperature, K x Mole fraction [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid mixture 1)
| Fixed | Measured | |||
|---|---|---|---|---|
| Temperature, K - Liquid mixture 1 | Mole fraction of Water (3) - Liquid mixture 1 | Mole fraction of Acetic acid (1) - Liquid mixture 1 | Mole fraction of Acetic acid (1) - Liquid mixture 2 | Mole fraction of Water (3) - Liquid mixture 2 |
| 283.16 | 0.9436 | 0.0562 | 0.0732 | 0.0732 |
| 283.16 | 0.8989 | 0.1005 | 0.1371 | 0.1133 |
| 283.16 | 0.8473 | 0.1513 | 0.2032 | 0.1542 |
| 283.16 | 0.7966 | 0.1993 | 0.2646 | 0.2086 |
| 283.16 | 0.7317 | 0.2578 | 0.3216 | 0.2835 |
| 298.14 | 0.9448 | 0.0550 | 0.0723 | 0.0831 |
| 298.14 | 0.8914 | 0.1080 | 0.1498 | 0.1319 |
| 298.14 | 0.8384 | 0.1592 | 0.2202 | 0.1840 |
| 298.14 | 0.7710 | 0.2224 | 0.2781 | 0.2402 |
| 318.15 | 0.9989 | 0.0011 | 0.0024 | 0.0547 |
| 318.15 | 0.9446 | 0.0552 | 0.0742 | 0.1009 |
| 318.15 | 0.8819 | 0.1171 | 0.1601 | 0.1585 |
| 318.15 | 0.8420 | 0.1556 | 0.2025 | 0.1882 |
| 318.15 | 0.7821 | 0.2112 | 0.2628 | 0.2431 |
| 318.15 | 0.7174 | 0.2647 | 0.3134 | 0.3175 |