Mixture of Ethanol + Acetaldehyde + Acetic acid

Excel

Ethanol

Name
Ethanol
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI Key
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Formula
C2H6O
SMILES
CCO
Mol. Weight (g/mol)
46.07
CAS
64-17-5

Acetaldehyde

Name
Acetaldehyde
InChI
InChI=1S/C2H4O/c1-2-3/h2H,1H3
InChI Key
IKHGUXGNUITLKF-UHFFFAOYSA-N
Formula
C2H4O
SMILES
CC=O
Mol. Weight (g/mol)
44.05
CAS
75-07-0

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. Temperature, K x Mole fraction (2)

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.325 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Acetaldehyde (2) - Liquid Mole fraction of Ethanol (1) - Liquid Mole fraction of Ethanol (1) - Gas Mole fraction of Acetaldehyde (2) - Gas
296.40 0.9050 0.0950 0.0047 0.9953
297.28 0.8777 0.0922 0.0049 0.9948
298.06 0.8504 0.0893 0.0052 0.9943
298.93 0.8233 0.0865 0.0054 0.9936
299.70 0.7962 0.0836 0.0057 0.9929
300.71 0.7691 0.0808 0.0061 0.9920
301.94 0.7419 0.0779 0.0064 0.9910
303.91 0.7148 0.0751 0.0068 0.9899
305.28 0.6877 0.0722 0.0073 0.9885
306.86 0.6605 0.0694 0.0078 0.9868
308.47 0.6334 0.0665 0.0084 0.9848
310.29 0.6063 0.0637 0.0091 0.9824
312.43 0.5791 0.0608 0.0099 0.9795
315.00 0.5520 0.0580 0.0108 0.9759
318.24 0.5249 0.0551 0.0118 0.9715
321.28 0.4974 0.0522 0.0130 0.9660
322.82 0.4200 0.5246 0.1260 0.8712
324.83 0.3901 0.5517 0.1509 0.8457
325.99 0.3602 0.5788 0.1808 0.8151
328.28 0.3301 0.6060 0.2167 0.7782
330.87 0.3001 0.6332 0.2591 0.7346
333.53 0.2700 0.6603 0.3091 0.6832
337.18 0.2400 0.6875 0.3668 0.6238
339.41 0.2101 0.7145 0.4321 0.5563
341.49 0.1801 0.7417 0.5050 0.4810
344.39 0.1501 0.7688 0.5839 0.3992
346.64 0.1201 0.7959 0.6666 0.3133
349.27 0.0900 0.8232 0.7502 0.2262
350.21 0.0599 0.8504 0.8306 0.1419
350.99 0.0301 0.8774 0.9028 0.0656
364.73 0.0587 0.3599 0.6351 0.1177
365.94 0.0615 0.3299 0.6076 0.1265
366.79 0.0642 0.2999 0.5778 0.1358
367.72 0.0670 0.2699 0.5453 0.1462
368.87 0.0698 0.2399 0.5096 0.1575
370.66 0.0725 0.2098 0.4701 0.1700
371.65 0.0753 0.1798 0.4265 0.1835
372.80 0.0780 0.1498 0.3777 0.1983
374.46 0.0808 0.1200 0.3229 0.2150
376.10 0.0835 0.0900 0.2601 0.2337
377.68 0.0862 0.0601 0.1876 0.2548
379.30 0.0890 0.0301 0.1023 0.2797
398.72 0.0521 0.0224 0.0309 0.3632

Temperature, K x Mole fraction [ref]

Operational condition: Pressure, kPa = 101.325 (Liquid)

Fixed Measured
Temperature, K - Liquid Mole fraction of Acetaldehyde (2) - Liquid Mole fraction of Ethanol (1) - Liquid Mole fraction of Ethanol (1) - Gas Mole fraction of Acetaldehyde (2) - Gas
296.40 0.9050 0.0950 0.0047 0.9953
297.28 0.8777 0.0922 0.0049 0.9948
298.06 0.8504 0.0893 0.0052 0.9943
298.93 0.8233 0.0865 0.0054 0.9936
299.70 0.7962 0.0836 0.0057 0.9929
300.71 0.7691 0.0808 0.0061 0.9920
301.94 0.7419 0.0779 0.0064 0.9910
303.91 0.7148 0.0751 0.0068 0.9899
305.28 0.6877 0.0722 0.0073 0.9885
306.86 0.6605 0.0694 0.0078 0.9868
308.47 0.6334 0.0665 0.0084 0.9848
310.29 0.6063 0.0637 0.0091 0.9824
312.43 0.5791 0.0608 0.0099 0.9795
315.00 0.5520 0.0580 0.0108 0.9759
318.24 0.5249 0.0551 0.0118 0.9715
321.28 0.4974 0.0522 0.0130 0.9660
322.82 0.4200 0.5246 0.1260 0.8712
324.83 0.3901 0.5517 0.1509 0.8457
325.99 0.3602 0.5788 0.1808 0.8151
328.28 0.3301 0.6060 0.2167 0.7782
330.87 0.3001 0.6332 0.2591 0.7346
333.53 0.2700 0.6603 0.3091 0.6832
337.18 0.2400 0.6875 0.3668 0.6238
339.41 0.2101 0.7145 0.4321 0.5563
341.49 0.1801 0.7417 0.5050 0.4810
344.39 0.1501 0.7688 0.5839 0.3992
346.64 0.1201 0.7959 0.6666 0.3133
349.27 0.0900 0.8232 0.7502 0.2262
350.21 0.0599 0.8504 0.8306 0.1419
350.99 0.0301 0.8774 0.9028 0.0656
364.73 0.0587 0.3599 0.6351 0.1177
365.94 0.0615 0.3299 0.6076 0.1265
366.79 0.0642 0.2999 0.5778 0.1358
367.72 0.0670 0.2699 0.5453 0.1462
368.87 0.0698 0.2399 0.5096 0.1575
370.66 0.0725 0.2098 0.4701 0.1700
371.65 0.0753 0.1798 0.4265 0.1835
372.80 0.0780 0.1498 0.3777 0.1983
374.46 0.0808 0.1200 0.3229 0.2150
376.10 0.0835 0.0900 0.2601 0.2337
377.68 0.0862 0.0601 0.1876 0.2548
379.30 0.0890 0.0301 0.1023 0.2797
398.72 0.0521 0.0224 0.0309 0.3632

Sources