- Name
- Formamide, N,N-dimethyl-
- InChI
- InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
- InChI Key
- ZMXDDKWLCZADIW-UHFFFAOYSA-N
- Formula
- C3H7NO
- SMILES
- CN(C)C=O
- Mol. Weight (g/mol)
- 73.09
- CAS
- 68-12-2
- 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 | 0.0502 | 0.2017 |
| 298.15 | 0.0597 | 0.0423 |
| 298.15 | 0.0575 | 0.0820 |
| 298.15 | 0.0553 | 0.1210 |
| 298.15 | 0.0526 | 0.1614 |
| 298.15 | 0.0621 | 0.0000 |
| 308.15 | 0.0530 | 0.2546 |
| 308.15 | 0.0639 | 0.0450 |
| 308.15 | 0.0594 | 0.1410 |
| 308.15 | 0.0619 | 0.0903 |
| 308.15 | 0.0570 | 0.1922 |
| 308.15 | 0.0664 | 0.0000 |
| 318.15 | 0.0538 | 0.3146 |
| 318.15 | 0.0586 | 0.2266 |
| 318.15 | 0.0659 | 0.1092 |
| 318.15 | 0.0628 | 0.1642 |
| 318.15 | 0.0693 | 0.0506 |
| 318.15 | 0.0718 | 0.0000 |
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 | 0.2205 |
| 298.15 | 0.0384 | 0.2057 |
| 298.15 | 0.0265 | 0.2110 |
| 298.15 | 0.0147 | 0.2151 |
| 298.15 | 0.0502 | 0.2017 |
| 308.15 | 0.0000 | 0.2777 |
| 308.15 | 0.0377 | 0.2605 |
| 308.15 | 0.0249 | 0.2656 |
| 308.15 | 0.0132 | 0.2715 |
| 308.15 | 0.0530 | 0.2546 |
| 318.15 | 0.0000 | 0.3442 |
| 318.15 | 0.0126 | 0.3366 |
| 318.15 | 0.0263 | 0.3302 |
| 318.15 | 0.0395 | 0.3219 |
| 318.15 | 0.0538 | 0.3146 |