Mixture of Acetic acid + Hexanedioic acid, dimethyl ester + Water

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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

Hexanedioic acid, dimethyl ester

Name
Hexanedioic acid, dimethyl ester
InChI
InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
InChI Key
UDSFAEKRVUSQDD-UHFFFAOYSA-N
Formula
C8H14O4
SMILES
COC(=O)CCCCC(=O)OC
Mol. Weight (g/mol)
174.19
CAS
627-93-0

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. Temperature, K x Mole fraction (4)

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Acetic acid (1) - Liquid mixture 1 Mole fraction of Acetic acid (1) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2
298.15 0.9807 0.0160 0.0647 0.3007
298.15 0.9640 0.0317 0.1161 0.3814
298.15 0.9434 0.0494 0.1545 0.4602
298.15 0.9279 0.0624 0.1782 0.5331
298.15 0.8911 0.0884 0.1822 0.6249
308.15 0.9843 0.0123 0.0622 0.3407
308.15 0.9714 0.0246 0.1127 0.3956
308.15 0.9556 0.0390 0.1487 0.4763
308.15 0.9372 0.0554 0.1644 0.5375
308.15 0.9102 0.0763 0.1789 0.6005
318.15 0.9715 0.0239 0.0723 0.3497
318.15 0.9594 0.0355 0.1108 0.3888
318.15 0.9415 0.0512 0.1482 0.4617
318.15 0.9240 0.0655 0.1730 0.5409
318.15 0.8783 0.0956 0.1811 0.6168

Mole fraction of Acetic acid (1) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Acetic acid (1) - Liquid mixture 2
298.15 0.2117 0.0000
298.15 0.3804 0.1144
298.15 0.4386 0.1469
298.15 0.4971 0.1622
298.15 0.5830 0.1815
298.15 0.6997 0.1697
298.15 0.7837 0.1424
298.15 0.8620 0.1033
298.15 0.9198 0.0693
298.15 0.9544 0.0393
298.15 0.9809 0.0156
298.15 0.9969 0.0000
308.15 0.2547 0.0000
308.15 0.3719 0.0935
308.15 0.4717 0.1446
308.15 0.5207 0.1699
308.15 0.5998 0.1796
308.15 0.7098 0.1640
308.15 0.7926 0.1373
308.15 0.8431 0.1172
308.15 0.8977 0.0853
308.15 0.9382 0.0539
308.15 0.9772 0.0191
308.15 0.9970 0.0000
318.15 0.3097 0.0000
318.15 0.4123 0.0980
318.15 0.4962 0.1389
318.15 0.5072 0.1685
318.15 0.6149 0.1710
318.15 0.7180 0.1578
318.15 0.8052 0.1298
318.15 0.8501 0.1117
318.15 0.9025 0.0788
318.15 0.9378 0.0539
318.15 0.9706 0.0253
318.15 0.9972 0.0000

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Acetic acid (1) - Liquid mixture 1 Mole fraction of Acetic acid (1) - Liquid mixture 2 Mole fraction of Water (3) - Liquid mixture 2
298.15 0.9807 0.0160 0.0647 0.3007
298.15 0.9640 0.0317 0.1161 0.3814
298.15 0.9434 0.0494 0.1545 0.4602
298.15 0.9279 0.0624 0.1782 0.5331
298.15 0.8911 0.0884 0.1822 0.6249
308.15 0.9843 0.0123 0.0622 0.3407
308.15 0.9714 0.0246 0.1127 0.3956
308.15 0.9556 0.0390 0.1487 0.4763
308.15 0.9372 0.0554 0.1644 0.5375
308.15 0.9102 0.0763 0.1789 0.6005
318.15 0.9715 0.0239 0.0723 0.3497
318.15 0.9594 0.0355 0.1108 0.3888
318.15 0.9415 0.0512 0.1482 0.4617
318.15 0.9240 0.0655 0.1730 0.5409
318.15 0.8783 0.0956 0.1811 0.6168

Mole fraction of Acetic acid (1) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed Measured
Temperature, K - Liquid mixture 1 Mole fraction of Water (3) - Liquid mixture 1 Mole fraction of Acetic acid (1) - Liquid mixture 2
298.15 0.2117 0.0000
298.15 0.3804 0.1144
298.15 0.4386 0.1469
298.15 0.4971 0.1622
298.15 0.5830 0.1815
298.15 0.6997 0.1697
298.15 0.7837 0.1424
298.15 0.8620 0.1033
298.15 0.9198 0.0693
298.15 0.9544 0.0393
298.15 0.9809 0.0156
298.15 0.9969 0.0000
308.15 0.2547 0.0000
308.15 0.3719 0.0935
308.15 0.4717 0.1446
308.15 0.5207 0.1699
308.15 0.5998 0.1796
308.15 0.7098 0.1640
308.15 0.7926 0.1373
308.15 0.8431 0.1172
308.15 0.8977 0.0853
308.15 0.9382 0.0539
308.15 0.9772 0.0191
308.15 0.9970 0.0000
318.15 0.3097 0.0000
318.15 0.4123 0.0980
318.15 0.4962 0.1389
318.15 0.5072 0.1685
318.15 0.6149 0.1710
318.15 0.7180 0.1578
318.15 0.8052 0.1298
318.15 0.8501 0.1117
318.15 0.9025 0.0788
318.15 0.9378 0.0539
318.15 0.9706 0.0253
318.15 0.9972 0.0000

Sources