- 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
- Terephthalaldehyde
- InChI
- InChI=1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H
- InChI Key
- KUCOHFSKRZZVRO-UHFFFAOYSA-N
- Formula
- C8H6O2
- SMILES
- O=Cc1ccc(C=O)cc1
- Mol. Weight (g/mol)
- 134.13
- 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
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Datasets
Mass fraction of Terephthalaldehyde (2) [ref]
Operational condition: Pressure, kPa = 101.2 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mass fraction of Terephthalic acid (3) - Liquid | Mass fraction of Terephthalaldehyde (2) - Liquid |
| 298.15 | 0.0414 | 0.2143 |
| 298.15 | 0.0522 | 0.0413 |
| 298.15 | 0.0499 | 0.0770 |
| 298.15 | 0.0475 | 0.1140 |
| 298.15 | 0.0449 | 0.1578 |
| 298.15 | 0.0546 | 0.0000 |
| 308.15 | 0.0556 | 0.2599 |
| 308.15 | 0.0726 | 0.0473 |
| 308.15 | 0.0688 | 0.0954 |
| 308.15 | 0.0648 | 0.1417 |
| 308.15 | 0.0599 | 0.2059 |
| 308.15 | 0.0764 | 0.0000 |
| 318.15 | 0.0976 | 0.0545 |
| 318.15 | 0.0924 | 0.1034 |
| 318.15 | 0.0872 | 0.1555 |
| 318.15 | 0.0806 | 0.2251 |
| 318.15 | 0.1030 | 0.0000 |
| 318.15 | 0.0724 | 0.3104 |
Mass fraction of Terephthalaldehyde (2) [ref]
Operational condition: Pressure, kPa = 101.2 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mass fraction of Terephthalic acid (3) - Liquid | Mass fraction of Terephthalaldehyde (2) - Liquid |
| 298.15 | 0.0000 | 0.2291 |
| 298.15 | 0.0143 | 0.2238 |
| 298.15 | 0.0293 | 0.2190 |
| 298.15 | 0.0201 | 0.2224 |
| 298.15 | 0.0414 | 0.2143 |
| 308.15 | 0.0000 | 0.2819 |
| 308.15 | 0.0148 | 0.2753 |
| 308.15 | 0.0280 | 0.2701 |
| 308.15 | 0.0399 | 0.2667 |
| 308.15 | 0.0556 | 0.2599 |
| 318.15 | 0.0000 | 0.3461 |
| 318.15 | 0.0164 | 0.3396 |
| 318.15 | 0.0355 | 0.3302 |
| 318.15 | 0.0555 | 0.3209 |
| 318.15 | 0.0724 | 0.3104 |