- Name
- 2-Pyrrolidinone, 1-methyl-
- InChI
- InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
- InChI Key
- SECXISVLQFMRJM-UHFFFAOYSA-N
- Formula
- C5H9NO
- SMILES
- CN1CCCC1=O
- Mol. Weight (g/mol)
- 99.13
- CAS
- 872-50-4
- Name
- Terephthalic acid
- InChI
- InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
- InChI Key
- KKEYFWRCBNTPAC-UHFFFAOYSA-N
- Formula
- C8H6O4
- SMILES
- O=C(O)c1ccc(C(=O)O)cc1
- Mol. Weight (g/mol)
- 166.13
- CAS
- 100-21-0
- 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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Datasets
Mole fraction of Terephthalic acid (2) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mole fraction of Water (3) - Liquid | Mole fraction of Terephthalic acid (2) - Liquid |
| 303.20 | 0.0000 | 0.0133 |
| 303.20 | 0.2160 | 0.0058 |
| 303.20 | 0.3804 | 0.0038 |
| 303.20 | 0.5791 | 0.0029 |
| 313.20 | 0.0000 | 0.0155 |
| 313.20 | 0.2160 | 0.0081 |
| 313.20 | 0.3804 | 0.0052 |
| 313.20 | 0.5791 | 0.0040 |
| 323.20 | 0.0000 | 0.0188 |
| 323.20 | 0.2160 | 0.0105 |
| 323.20 | 0.3804 | 0.0074 |
| 323.20 | 0.5791 | 0.0060 |
| 333.20 | 0.0000 | 0.0216 |
| 333.20 | 0.2160 | 0.0137 |
| 333.20 | 0.3804 | 0.0104 |
| 333.20 | 0.5791 | 0.0066 |
| 343.20 | 0.0000 | 0.0256 |
| 343.20 | 0.2160 | 0.0168 |
| 343.20 | 0.3804 | 0.0126 |
| 343.20 | 0.5791 | 0.0079 |
| 353.20 | 0.0000 | 0.0287 |
| 353.20 | 0.2160 | 0.0208 |
| 353.20 | 0.3804 | 0.0165 |
| 353.20 | 0.5791 | 0.0101 |
| 363.20 | 0.0000 | 0.0328 |
| 363.20 | 0.2160 | 0.0260 |
| 363.20 | 0.3804 | 0.0206 |
| 363.20 | 0.5791 | 0.0132 |
Mole fraction of Terephthalic acid (2) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mole fraction of Water (3) - Liquid | Mole fraction of Terephthalic acid (2) - Liquid |
| 303.20 | 0.0000 | 0.0133 |
| 303.20 | 0.2160 | 0.0058 |
| 303.20 | 0.3804 | 0.0038 |
| 303.20 | 0.5791 | 0.0029 |
| 313.20 | 0.0000 | 0.0155 |
| 313.20 | 0.2160 | 0.0081 |
| 313.20 | 0.3804 | 0.0052 |
| 313.20 | 0.5791 | 0.0040 |
| 323.20 | 0.0000 | 0.0188 |
| 323.20 | 0.2160 | 0.0105 |
| 323.20 | 0.3804 | 0.0074 |
| 323.20 | 0.5791 | 0.0060 |
| 333.20 | 0.0000 | 0.0216 |
| 333.20 | 0.2160 | 0.0137 |
| 333.20 | 0.3804 | 0.0104 |
| 333.20 | 0.5791 | 0.0066 |
| 343.20 | 0.0000 | 0.0256 |
| 343.20 | 0.2160 | 0.0168 |
| 343.20 | 0.3804 | 0.0126 |
| 343.20 | 0.5791 | 0.0079 |
| 353.20 | 0.0000 | 0.0287 |
| 353.20 | 0.2160 | 0.0208 |
| 353.20 | 0.3804 | 0.0165 |
| 353.20 | 0.5791 | 0.0101 |
| 363.20 | 0.0000 | 0.0328 |
| 363.20 | 0.2160 | 0.0260 |
| 363.20 | 0.3804 | 0.0206 |
| 363.20 | 0.5791 | 0.0132 |