Mixture of Isophthalic acid + 2-Pyrrolidinone, 1-methyl- + Terephthalic acid

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Isophthalic acid

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

2-Pyrrolidinone, 1-methyl-

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

Terephthalic acid

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

  1. Mass fraction (8)
  2. ρl - Mass density, kg/m3 (2)

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

Sources