Mixture of Isophthalic acid + Acetic acid + Water

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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

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

Water

Name
Water
InChI
InChI=1S/H2O/h1H2
InChI Key
XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula
H2O
SMILES
O
Mol. Weight (g/mol)
18.02
CAS
7732-18-5
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Datasets

  1. Mole fraction (6)

Mole fraction of Isophthalic acid (1) [ref]

Operational conditions:

Temperature, K - Liquid Mole fraction of Isophthalic acid (1) - Liquid
297.40 0.0004
304.05 0.0005
313.35 0.0008
322.40 0.0010
332.10 0.0013
341.85 0.0018
351.75 0.0024
361.60 0.0032
370.20 0.0043

Mole fraction of Isophthalic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Solvent: Mass fraction of Acetic acid (2) - Liquid Temperature, K - Liquid Mole fraction of Isophthalic acid (1) - Liquid
0.0000 301.45 0.0000
0.0000 314.15 0.0000
0.0000 325.15 0.0000
0.0000 338.15 0.0001
0.0000 349.65 0.0001
0.0000 356.65 0.0001
0.0000 359.63 0.0002
0.0000 366.58 0.0002
0.2056 301.65 0.0000
0.2056 308.85 0.0001
0.2056 318.45 0.0001
0.2056 328.35 0.0001
0.2056 338.05 0.0002
0.2056 348.45 0.0003
0.2056 358.35 0.0005
0.2056 368.35 0.0007
0.4083 298.65 0.0001
0.4083 308.15 0.0002
0.4083 318.35 0.0003
0.4083 328.35 0.0004
0.4083 338.35 0.0006
0.4083 348.35 0.0008
0.4083 358.15 0.0012
0.4083 368.15 0.0017
0.6082 298.95 0.0002
0.6082 308.55 0.0004
0.6082 318.45 0.0005
0.6082 328.15 0.0008
0.6082 337.95 0.0011
0.6082 347.95 0.0015
0.6082 358.15 0.0021
0.6082 368.15 0.0028
1.0000 300.55 0.0008
1.0000 316.55 0.0012
1.0000 330.25 0.0017
1.0000 338.00 0.0021
1.0000 347.85 0.0028
1.0000 355.35 0.0038
1.0000 364.03 0.0047
1.0000 370.13 0.0053

Mass ratio of solute to solvent of Isophthalic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Acetic acid (2) - Liquid Mass ratio of solute to solvent of Isophthalic acid (1) - Liquid
313.20 0.3100 0.0028
313.20 0.4120 0.0030
313.20 0.5440 0.0031
313.20 0.7270 0.0031
313.20 1.0000 0.0033
323.20 0.3100 0.0042
323.20 0.4120 0.0042
323.20 0.5440 0.0042
323.20 0.7270 0.0042
323.20 1.0000 0.0040
333.20 0.3100 0.0058
333.20 0.4120 0.0057
333.20 0.5440 0.0058
333.20 0.7270 0.0056
333.20 1.0000 0.0051
343.20 0.3100 0.0074
343.20 0.4120 0.0079
343.20 0.5440 0.0081
343.20 0.7270 0.0077
343.20 1.0000 0.0071
353.20 0.3100 0.0106
353.20 0.4120 0.0109
353.20 0.5440 0.0112
353.20 0.7270 0.0106
353.20 1.0000 0.0087
363.20 0.3100 0.0140
363.20 0.4120 0.0150
363.20 0.5440 0.0150
363.20 0.7270 0.0135
363.20 1.0000 0.0117

Mole fraction of Isophthalic acid (1) [ref]

Operational conditions:

Temperature, K - Liquid Mole fraction of Isophthalic acid (1) - Liquid
297.40 0.0004
304.05 0.0005
313.35 0.0008
322.40 0.0010
332.10 0.0013
341.85 0.0018
351.75 0.0024
361.60 0.0032
370.20 0.0043

Mole fraction of Isophthalic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Solvent: Mass fraction of Acetic acid (2) - Liquid Temperature, K - Liquid Mole fraction of Isophthalic acid (1) - Liquid
0.0000 301.45 0.0000
0.0000 314.15 0.0000
0.0000 325.15 0.0000
0.0000 338.15 0.0001
0.0000 349.65 0.0001
0.0000 356.65 0.0001
0.0000 359.63 0.0002
0.0000 366.58 0.0002
0.2056 301.65 0.0000
0.2056 308.85 0.0001
0.2056 318.45 0.0001
0.2056 328.35 0.0001
0.2056 338.05 0.0002
0.2056 348.45 0.0003
0.2056 358.35 0.0005
0.2056 368.35 0.0007
0.4083 298.65 0.0001
0.4083 308.15 0.0002
0.4083 318.35 0.0003
0.4083 328.35 0.0004
0.4083 338.35 0.0006
0.4083 348.35 0.0008
0.4083 358.15 0.0012
0.4083 368.15 0.0017
0.6082 298.95 0.0002
0.6082 308.55 0.0004
0.6082 318.45 0.0005
0.6082 328.15 0.0008
0.6082 337.95 0.0011
0.6082 347.95 0.0015
0.6082 358.15 0.0021
0.6082 368.15 0.0028
1.0000 300.55 0.0008
1.0000 316.55 0.0012
1.0000 330.25 0.0017
1.0000 338.00 0.0021
1.0000 347.85 0.0028
1.0000 355.35 0.0038
1.0000 364.03 0.0047
1.0000 370.13 0.0053

Mass ratio of solute to solvent of Isophthalic acid (1) [ref]

Operational condition: Pressure, kPa = 101 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Acetic acid (2) - Liquid Mass ratio of solute to solvent of Isophthalic acid (1) - Liquid
313.20 0.3100 0.0028
313.20 0.4120 0.0030
313.20 0.5440 0.0031
313.20 0.7270 0.0031
313.20 1.0000 0.0033
323.20 0.3100 0.0042
323.20 0.4120 0.0042
323.20 0.5440 0.0042
323.20 0.7270 0.0042
323.20 1.0000 0.0040
333.20 0.3100 0.0058
333.20 0.4120 0.0057
333.20 0.5440 0.0058
333.20 0.7270 0.0056
333.20 1.0000 0.0051
343.20 0.3100 0.0074
343.20 0.4120 0.0079
343.20 0.5440 0.0081
343.20 0.7270 0.0077
343.20 1.0000 0.0071
353.20 0.3100 0.0106
353.20 0.4120 0.0109
353.20 0.5440 0.0112
353.20 0.7270 0.0106
353.20 1.0000 0.0087
363.20 0.3100 0.0140
363.20 0.4120 0.0150
363.20 0.5440 0.0150
363.20 0.7270 0.0135
363.20 1.0000 0.0117

Sources