- Name
- Butanoic acid
- InChI
- InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
- InChI Key
- FERIUCNNQQJTOY-UHFFFAOYSA-N
- Formula
- C4H8O2
- SMILES
- CCCC(=O)O
- Mol. Weight (g/mol)
- 88.11
- CAS
- 107-92-6
- Name
- Butanoic acid, ethyl ester
- InChI
- InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
- InChI Key
- OBNCKNCVKJNDBV-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CCCC(=O)OCC
- Mol. Weight (g/mol)
- 116.16
- CAS
- 105-54-4
- 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:
- Pressure, kPa = 101 (Liquid mixture 2)
- Temperature, K = 298.15 (Liquid mixture 2)
| Fixed | Measured | ||
|---|---|---|---|
| Mole fraction of Butanoic acid (1) - Liquid mixture 1 | Mole fraction of Butanoic acid, ethyl ester (2) - Liquid mixture 1 | Mole fraction of Butanoic acid (1) - Liquid mixture 2 | Mole fraction of Butanoic acid, ethyl ester (2) - Liquid mixture 2 |
| 0.0092 | 0.0003 | 0.1898 | 0.6381 |
| 0.0129 | 0.0005 | 0.2624 | 0.5332 |
| 0.0171 | 0.0008 | 0.3252 | 0.3994 |
| 0.0206 | 0.0012 | 0.3700 | 0.2958 |
| 0.0231 | 0.0013 | 0.3739 | 0.2114 |
| 0.0256 | 0.0014 | 0.3855 | 0.1501 |
Mole fraction [ref]
Operational conditions:
- Pressure, kPa = 101 (Liquid mixture 2)
- Temperature, K = 298.15 (Liquid mixture 2)
| Fixed | Measured | ||
|---|---|---|---|
| Mole fraction of Butanoic acid (1) - Liquid mixture 1 | Mole fraction of Butanoic acid, ethyl ester (2) - Liquid mixture 1 | Mole fraction of Butanoic acid (1) - Liquid mixture 2 | Mole fraction of Butanoic acid, ethyl ester (2) - Liquid mixture 2 |
| 0.0092 | 0.0003 | 0.1898 | 0.6381 |
| 0.0129 | 0.0005 | 0.2624 | 0.5332 |
| 0.0171 | 0.0008 | 0.3252 | 0.3994 |
| 0.0206 | 0.0012 | 0.3700 | 0.2958 |
| 0.0231 | 0.0013 | 0.3739 | 0.2114 |
| 0.0256 | 0.0014 | 0.3855 | 0.1501 |