Mixture of Isophthalic acid + Benzoic acid + Acetic 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

Benzoic acid

Name
Benzoic acid
InChI
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChI Key
WPYMKLBDIGXBTP-UHFFFAOYSA-N
Formula
C7H6O2
SMILES
O=C(O)c1ccccc1
Mol. Weight (g/mol)
122.12
CAS
65-85-0

Acetic acid

Name
Acetic acid
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChI Key
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Formula
C2H4O2
SMILES
CC(=O)O
Mol. Weight (g/mol)
60.05
CAS
64-19-7
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Datasets

  1. Mole fraction (2)

Mole fraction of Isophthalic acid (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Solvent: Mass fraction of Benzoic acid (2) - Liquid Temperature, K - Liquid Mole fraction of Isophthalic acid (1) - Liquid
0.0000 292.55 0.0006
0.0000 301.85 0.0008
0.0000 311.55 0.0010
0.0000 321.55 0.0013
0.0000 331.35 0.0017
0.0000 342.50 0.0024
0.0000 352.50 0.0031
0.0000 362.05 0.0041
0.0000 372.10 0.0052
0.0500 295.50 0.0007
0.0500 304.00 0.0009
0.0500 312.90 0.0012
0.0500 322.75 0.0015
0.0500 332.45 0.0019
0.0500 342.65 0.0025
0.0500 352.50 0.0032
0.0500 362.10 0.0041
0.0500 371.95 0.0052
0.1000 293.65 0.0007
0.1000 304.05 0.0010
0.1000 312.90 0.0012
0.1000 322.90 0.0016
0.1000 332.70 0.0021
0.1000 342.70 0.0026
0.1000 352.45 0.0033
0.1000 362.25 0.0044
0.1000 371.90 0.0056
0.1500 297.50 0.0008
0.1500 303.40 0.0010
0.1500 314.45 0.0013
0.1500 322.85 0.0017
0.1500 332.50 0.0022
0.1500 342.45 0.0028
0.1500 352.50 0.0035
0.1500 362.40 0.0044
0.1500 371.85 0.0058
0.2010 298.55 0.0009
0.2010 304.10 0.0011
0.2010 314.05 0.0014
0.2010 322.85 0.0018
0.2010 332.65 0.0023
0.2010 342.50 0.0030
0.2010 352.50 0.0038
0.2010 362.05 0.0049
0.2010 372.10 0.0061

Mole fraction of Isophthalic acid (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Solvent: Mass fraction of Benzoic acid (2) - Liquid Temperature, K - Liquid Mole fraction of Isophthalic acid (1) - Liquid
0.0000 292.55 0.0006
0.0000 301.85 0.0008
0.0000 311.55 0.0010
0.0000 321.55 0.0013
0.0000 331.35 0.0017
0.0000 342.50 0.0024
0.0000 352.50 0.0031
0.0000 362.05 0.0041
0.0000 372.10 0.0052
0.0500 295.50 0.0007
0.0500 304.00 0.0009
0.0500 312.90 0.0012
0.0500 322.75 0.0015
0.0500 332.45 0.0019
0.0500 342.65 0.0025
0.0500 352.50 0.0032
0.0500 362.10 0.0041
0.0500 371.95 0.0052
0.1000 293.65 0.0007
0.1000 304.05 0.0010
0.1000 312.90 0.0012
0.1000 322.90 0.0016
0.1000 332.70 0.0021
0.1000 342.70 0.0026
0.1000 352.45 0.0033
0.1000 362.25 0.0044
0.1000 371.90 0.0056
0.1500 297.50 0.0008
0.1500 303.40 0.0010
0.1500 314.45 0.0013
0.1500 322.85 0.0017
0.1500 332.50 0.0022
0.1500 342.45 0.0028
0.1500 352.50 0.0035
0.1500 362.40 0.0044
0.1500 371.85 0.0058
0.2010 298.55 0.0009
0.2010 304.10 0.0011
0.2010 314.05 0.0014
0.2010 322.85 0.0018
0.2010 332.65 0.0023
0.2010 342.50 0.0030
0.2010 352.50 0.0038
0.2010 362.05 0.0049
0.2010 372.10 0.0061

Sources