- Name
- Isophthalic acid
- InChI
- InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
- InChI Key
- QQVIHTHCMHWDBS-UHFFFAOYSA-N
- Formula
- C8H6O4
- SMILES
- O=C(O)c1cccc(C(=O)O)c1
- Mol. Weight (g/mol)
- 166.13
- CAS
- 121-91-5
- 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
Datasets
Mass fraction of Terephthalic acid (3) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mass fraction of Isophthalic acid (1) - Liquid | Mass fraction of Terephthalic acid (3) - Liquid |
| 303.15 | 0.0000 | 0.0590 |
| 303.15 | 0.0101 | 0.0554 |
| 303.15 | 0.0290 | 0.0455 |
| 303.15 | 0.0648 | 0.0409 |
| 303.15 | 0.0974 | 0.0397 |
| 303.15 | 0.1204 | 0.0409 |
| 313.15 | 0.0000 | 0.0875 |
| 313.15 | 0.0304 | 0.0833 |
| 313.15 | 0.0602 | 0.0788 |
| 313.15 | 0.0845 | 0.0718 |
| 313.15 | 0.1181 | 0.0658 |
| 313.15 | 0.1364 | 0.0601 |
Mass fraction of Terephthalic acid (3) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mass fraction of Isophthalic acid (1) - Liquid | Mass fraction of Terephthalic acid (3) - Liquid |
| 303.15 | 0.1475 | 0.0316 |
| 303.15 | 0.1582 | 0.0231 |
| 303.15 | 0.1604 | 0.0134 |
| 303.15 | 0.1624 | 0.0000 |
| 313.15 | 0.1702 | 0.0465 |
| 313.15 | 0.1826 | 0.0390 |
| 313.15 | 0.1942 | 0.0188 |
| 313.15 | 0.1957 | 0.0000 |
Mass fraction of Terephthalic acid (3) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Temperature, K - Liquid | Mass fraction of Terephthalic acid (3) - Liquid |
|---|---|
| 303.15 | 0.0395 |
| 313.15 | 0.0581 |
Mass fraction of Isophthalic acid (1) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Temperature, K - Liquid | Mass fraction of Isophthalic acid (1) - Liquid |
|---|---|
| 303.15 | 0.1358 |
| 313.15 | 0.1573 |
Mass fraction of Terephthalic acid (3) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mass fraction of Isophthalic acid (1) - Liquid | Mass fraction of Terephthalic acid (3) - Liquid |
| 303.15 | 0.0000 | 0.0590 |
| 303.15 | 0.0101 | 0.0554 |
| 303.15 | 0.0290 | 0.0455 |
| 303.15 | 0.0648 | 0.0409 |
| 303.15 | 0.0974 | 0.0397 |
| 303.15 | 0.1204 | 0.0409 |
| 313.15 | 0.0000 | 0.0875 |
| 313.15 | 0.0304 | 0.0833 |
| 313.15 | 0.0602 | 0.0788 |
| 313.15 | 0.0845 | 0.0718 |
| 313.15 | 0.1181 | 0.0658 |
| 313.15 | 0.1364 | 0.0601 |
Mass fraction of Terephthalic acid (3) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Mass fraction of Isophthalic acid (1) - Liquid | Mass fraction of Terephthalic acid (3) - Liquid |
| 303.15 | 0.1475 | 0.0316 |
| 303.15 | 0.1582 | 0.0231 |
| 303.15 | 0.1604 | 0.0134 |
| 303.15 | 0.1624 | 0.0000 |
| 313.15 | 0.1702 | 0.0465 |
| 313.15 | 0.1826 | 0.0390 |
| 313.15 | 0.1942 | 0.0188 |
| 313.15 | 0.1957 | 0.0000 |
Mass fraction of Terephthalic acid (3) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Temperature, K - Liquid | Mass fraction of Terephthalic acid (3) - Liquid |
|---|---|
| 303.15 | 0.0395 |
| 313.15 | 0.0581 |
Mass fraction of Isophthalic acid (1) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Temperature, K - Liquid | Mass fraction of Isophthalic acid (1) - Liquid |
|---|---|
| 303.15 | 0.1358 |
| 313.15 | 0.1573 |
Mass density, kg/m3 [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Fixed | Measured | ||
|---|---|---|---|
| Temperature, K - Liquid | Mass fraction of Isophthalic acid (1) - Liquid | Mass fraction of Terephthalic acid (3) - Liquid | Mass density, kg/m3 - Liquid |
| 303.15 | 0.0000 | 0.0590 | 1029.5 |
| 303.15 | 0.0101 | 0.0554 | 1031.0 |
| 303.15 | 0.0290 | 0.0455 | 1034.9 |
| 303.15 | 0.0648 | 0.0409 | 1041.5 |
| 303.15 | 0.0974 | 0.0397 | 1047.1 |
| 303.15 | 0.1204 | 0.0409 | 1055.7 |
| 303.15 | 0.1358 | 0.0395 | 1060.8 |
| 303.15 | 0.1475 | 0.0316 | 1055.3 |
| 303.15 | 0.1582 | 0.0231 | 1050.7 |
| 303.15 | 0.1604 | 0.0134 | 1046.9 |
| 303.15 | 0.1624 | 0.0000 | 1036.1 |
| 313.15 | 0.0000 | 0.0875 | 1031.5 |
| 313.15 | 0.0304 | 0.0833 | 1037.1 |
| 313.15 | 0.0602 | 0.0788 | 1043.8 |
| 313.15 | 0.0845 | 0.0718 | 1048.9 |
| 313.15 | 0.1181 | 0.0658 | 1056.9 |
| 313.15 | 0.1364 | 0.0601 | 1062.9 |
| 313.15 | 0.1573 | 0.0581 | 1074.1 |
| 313.15 | 0.1702 | 0.0465 | 1063.1 |
| 313.15 | 0.1826 | 0.0390 | 1058.5 |
| 313.15 | 0.1942 | 0.0188 | 1047.9 |
| 313.15 | 0.1957 | 0.0000 | 1038.5 |
Mass density, kg/m3 [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Fixed | Measured | ||
|---|---|---|---|
| Temperature, K - Liquid | Mass fraction of Isophthalic acid (1) - Liquid | Mass fraction of Terephthalic acid (3) - Liquid | Mass density, kg/m3 - Liquid |
| 303.15 | 0.0000 | 0.0590 | 1029.5 |
| 303.15 | 0.0101 | 0.0554 | 1031.0 |
| 303.15 | 0.0290 | 0.0455 | 1034.9 |
| 303.15 | 0.0648 | 0.0409 | 1041.5 |
| 303.15 | 0.0974 | 0.0397 | 1047.1 |
| 303.15 | 0.1204 | 0.0409 | 1055.7 |
| 303.15 | 0.1358 | 0.0395 | 1060.8 |
| 303.15 | 0.1475 | 0.0316 | 1055.3 |
| 303.15 | 0.1582 | 0.0231 | 1050.7 |
| 303.15 | 0.1604 | 0.0134 | 1046.9 |
| 303.15 | 0.1624 | 0.0000 | 1036.1 |
| 313.15 | 0.0000 | 0.0875 | 1031.5 |
| 313.15 | 0.0304 | 0.0833 | 1037.1 |
| 313.15 | 0.0602 | 0.0788 | 1043.8 |
| 313.15 | 0.0845 | 0.0718 | 1048.9 |
| 313.15 | 0.1181 | 0.0658 | 1056.9 |
| 313.15 | 0.1364 | 0.0601 | 1062.9 |
| 313.15 | 0.1573 | 0.0581 | 1074.1 |
| 313.15 | 0.1702 | 0.0465 | 1063.1 |
| 313.15 | 0.1826 | 0.0390 | 1058.5 |
| 313.15 | 0.1942 | 0.0188 | 1047.9 |
| 313.15 | 0.1957 | 0.0000 | 1038.5 |