- Name
- Propanoic acid, 2-hydroxy-, ethyl ester
- InChI
- InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3
- InChI Key
- LZCLXQDLBQLTDK-UHFFFAOYSA-N
- Formula
- C5H10O3
- SMILES
- CCOC(=O)C(C)O
- Mol. Weight (g/mol)
- 118.13
- CAS
- 97-64-3
- Name
- Vanillic acid
- InChI
- InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
- InChI Key
- WKOLLVMJNQIZCI-UHFFFAOYSA-N
- Formula
- C8H8O4
- SMILES
- COc1cc(C(=O)O)ccc1O
- Mol. Weight (g/mol)
- 168.15
- CAS
- 121-34-6
- 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 of Vanillic acid (2) [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Solvent: Mass fraction of Water (3) - Liquid | Temperature, K - Liquid | Mole fraction of Vanillic acid (2) - Liquid |
| 0.0003 | 296.20 | 0.0279 |
| 0.0003 | 303.10 | 0.0321 |
| 0.0003 | 312.70 | 0.0379 |
| 0.0003 | 323.00 | 0.0444 |
| 0.0003 | 333.30 | 0.0545 |
| 0.0140 | 298.20 | 0.0270 |
| 0.0140 | 313.20 | 0.0355 |
| 0.0140 | 328.20 | 0.0482 |
| 0.0140 | 343.20 | 0.0584 |
Mole fraction of Vanillic acid (2) [ref]
Operational condition: Pressure, kPa = 101.3 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Solvent: Mass fraction of Water (3) - Liquid | Temperature, K - Liquid | Mole fraction of Vanillic acid (2) - Liquid |
| 0.0003 | 296.20 | 0.0279 |
| 0.0003 | 303.10 | 0.0321 |
| 0.0003 | 312.70 | 0.0379 |
| 0.0003 | 323.00 | 0.0444 |
| 0.0003 | 333.30 | 0.0545 |
| 0.0140 | 298.20 | 0.0270 |
| 0.0140 | 313.20 | 0.0355 |
| 0.0140 | 328.20 | 0.0482 |
| 0.0140 | 343.20 | 0.0584 |