- Name
- Benzoic acid
- InChI
- InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
- InChI Key
- WPYMKLBDIGXBTP-UHFFFAOYSA-N
- Formula
- C7H6O2
- SMILES
- O=C(O)c1ccccc1
- Mol. Weight (g/mol)
- 122.12
- CAS
- 65-85-0
- Name
- Benzoic acid, 4-methyl-
- InChI
- InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
- InChI Key
- LPNBBFKOUUSUDB-UHFFFAOYSA-N
- Formula
- C8H8O2
- SMILES
- Cc1ccc(C(=O)O)cc1
- Mol. Weight (g/mol)
- 136.15
- CAS
- 99-94-5
- 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
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Datasets
Mole fraction of Benzoic acid (1) [ref]
Operational conditions:
- Pressure, kPa = 101 (Liquid)
- Temperature, K = 343.15 (Liquid)
| Mole fraction of Acetic acid (3) - Liquid | Mole fraction of Benzoic acid (1) - Liquid |
|---|---|
| 0.4121 | 0.4352 |
| 0.4216 | 0.4344 |
| 0.4633 | 0.4283 |
| 0.4686 | 0.3752 |
| 0.5024 | 0.4267 |
| 0.5147 | 0.3290 |
| 0.5452 | 0.4219 |
| 0.5661 | 0.2827 |
| 0.5791 | 0.2684 |
| 0.5861 | 0.4139 |
| 0.6303 | 0.2221 |
| 0.6871 | 0.1732 |
| 0.7291 | 0.1351 |
| 0.7640 | 0.1050 |
| 0.7790 | 0.0922 |
| 0.8164 | 0.0604 |
| 0.8464 | 0.0358 |
| 0.8874 | 0.0000 |
Mole fraction of Benzoic acid (1) [ref]
Operational conditions:
- Pressure, kPa = 101 (Liquid)
- Temperature, K = 343.15 (Liquid)
| Mole fraction of Acetic acid (3) - Liquid | Mole fraction of Benzoic acid (1) - Liquid |
|---|---|
| 0.4121 | 0.4352 |
| 0.4216 | 0.4344 |
| 0.4633 | 0.4283 |
| 0.4686 | 0.3752 |
| 0.5024 | 0.4267 |
| 0.5147 | 0.3290 |
| 0.5452 | 0.4219 |
| 0.5661 | 0.2827 |
| 0.5791 | 0.2684 |
| 0.5861 | 0.4139 |
| 0.6303 | 0.2221 |
| 0.6871 | 0.1732 |
| 0.7291 | 0.1351 |
| 0.7640 | 0.1050 |
| 0.7790 | 0.0922 |
| 0.8164 | 0.0604 |
| 0.8464 | 0.0358 |
| 0.8874 | 0.0000 |