- Name
- Propanoic acid
- InChI
- InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
- InChI Key
- XBDQKXXYIPTUBI-UHFFFAOYSA-N
- Formula
- C3H6O2
- SMILES
- CCC(=O)O
- Mol. Weight (g/mol)
- 74.08
- CAS
- 79-09-4
- Name
- Diethyl fumarate
- InChI
- InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+
- InChI Key
- IEPRKVQEAMIZSS-AATRIKPKSA-N
- Formula
- C8H12O4
- SMILES
- CCOC(=O)C=CC(=O)OCC
- Mol. Weight (g/mol)
- 172.18
- CAS
- 623-91-6
- 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 2)
- Pressure, kPa = 101.3 (Liquid mixture 2)
| Fixed | Measured | ||
|---|---|---|---|
| Mole fraction of Water (3) - Liquid mixture 1 | Mole fraction of Propanoic acid (1) - Liquid mixture 1 | Mole fraction of Propanoic acid (1) - Liquid mixture 2 | Mole fraction of Water (3) - Liquid mixture 2 |
| 0.9815 | 0.0183 | 0.1479 | 0.2147 |
| 0.9727 | 0.0271 | 0.1961 | 0.2601 |
| 0.9568 | 0.0430 | 0.2587 | 0.3338 |
| 0.9381 | 0.0617 | 0.3046 | 0.4003 |
| 0.9246 | 0.0751 | 0.3181 | 0.4625 |
Mole fraction of Propanoic acid (1) [ref]
| Fixed | Measured | ||
|---|---|---|---|
| Mole fraction of Water (3) - Liquid mixture 1 | Pressure, kPa - Liquid mixture 1 | Temperature, K - Liquid mixture 1 | Mole fraction of Propanoic acid (1) - Liquid mixture 1 |
| 0.8710 | 101.30 | 298.15 | 0.1286 |
Mole fraction of Diethyl fumarate (2) [ref]
| Fixed | Measured | ||
|---|---|---|---|
| Mole fraction of Water (3) - Liquid mixture 1 | Pressure, kPa - Liquid mixture 1 | Temperature, K - Liquid mixture 1 | Mole fraction of Diethyl fumarate (2) - Liquid mixture 1 |
| 0.8710 | 101.30 | 298.15 | 0.0004 |
Mole fraction [ref]
Operational conditions:
- Temperature, K = 298.15 (Liquid mixture 2)
- Pressure, kPa = 101.3 (Liquid mixture 2)
| Fixed | Measured | ||
|---|---|---|---|
| Mole fraction of Water (3) - Liquid mixture 1 | Mole fraction of Propanoic acid (1) - Liquid mixture 1 | Mole fraction of Propanoic acid (1) - Liquid mixture 2 | Mole fraction of Water (3) - Liquid mixture 2 |
| 0.9815 | 0.0183 | 0.1479 | 0.2147 |
| 0.9727 | 0.0271 | 0.1961 | 0.2601 |
| 0.9568 | 0.0430 | 0.2587 | 0.3338 |
| 0.9381 | 0.0617 | 0.3046 | 0.4003 |
| 0.9246 | 0.0751 | 0.3181 | 0.4625 |
Mole fraction of Propanoic acid (1) [ref]
| Fixed | Measured | ||
|---|---|---|---|
| Mole fraction of Water (3) - Liquid mixture 1 | Pressure, kPa - Liquid mixture 1 | Temperature, K - Liquid mixture 1 | Mole fraction of Propanoic acid (1) - Liquid mixture 1 |
| 0.8710 | 101.30 | 298.15 | 0.1286 |
Mole fraction of Diethyl fumarate (2) [ref]
| Fixed | Measured | ||
|---|---|---|---|
| Mole fraction of Water (3) - Liquid mixture 1 | Pressure, kPa - Liquid mixture 1 | Temperature, K - Liquid mixture 1 | Mole fraction of Diethyl fumarate (2) - Liquid mixture 1 |
| 0.8710 | 101.30 | 298.15 | 0.0004 |