Mixture of 2-Oxepanone + Acetic acid + Pentanedioic acid

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2-Oxepanone

Name
2-Oxepanone
InChI
InChI=1S/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
InChI Key
PAPBSGBWRJIAAV-UHFFFAOYSA-N
Formula
C6H10O2
SMILES
O=C1CCCCCO1
Mol. Weight (g/mol)
114.14
CAS
502-44-3

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

Pentanedioic acid

Name
Pentanedioic acid
InChI
InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChI Key
JFCQEDHGNNZCLN-UHFFFAOYSA-N
Formula
C5H8O4
SMILES
O=C(O)CCCC(=O)O
Mol. Weight (g/mol)
132.11
CAS
110-94-1
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Datasets

  1. Mole fraction (2)

Mole fraction of Pentanedioic acid (3) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of 2-Oxepanone (1) - Liquid Mole fraction of Pentanedioic acid (3) - Liquid
298.05 1.0000 0.2480
302.85 1.0000 0.2754
308.35 1.0000 0.3123
314.15 1.0000 0.3573
319.25 1.0000 0.3968
323.95 1.0000 0.4376
328.25 1.0000 0.4763
333.85 1.0000 0.5228
337.95 1.0000 0.5551
340.65 1.0000 0.5753
295.75 0.7000 0.2104
301.45 0.7000 0.2382
306.95 0.7000 0.2684
311.15 0.7000 0.2987
316.35 0.7000 0.3347
320.85 0.7000 0.3714
325.25 0.7000 0.4121
330.45 0.7000 0.4542
335.15 0.7000 0.4928
338.95 0.7000 0.5234
294.45 0.5000 0.1926
299.95 0.5000 0.2163
305.15 0.5000 0.2415
309.95 0.5000 0.2709
314.25 0.5000 0.3030
319.15 0.5000 0.3380
323.65 0.5000 0.3758
328.45 0.5000 0.4177
332.65 0.5000 0.4555
336.35 0.5000 0.4849
295.85 0.3000 0.1856
300.15 0.3000 0.2060
305.05 0.3000 0.2288
308.85 0.3000 0.2517
313.95 0.3000 0.2895
318.45 0.3000 0.3226
322.15 0.3000 0.3516
326.45 0.3000 0.3916
330.15 0.3000 0.4265
334.55 0.3000 0.4606
293.35 0.1000 0.1694
297.75 0.1000 0.1844
302.35 0.1000 0.2047
307.65 0.1000 0.2366
313.15 0.1000 0.2766
318.45 0.1000 0.3152
323.05 0.1000 0.3560
328.95 0.1000 0.4088
333.15 0.1000 0.4415
338.15 0.1000 0.4881

Mole fraction of Pentanedioic acid (3) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of 2-Oxepanone (1) - Liquid Mole fraction of Pentanedioic acid (3) - Liquid
298.05 1.0000 0.2480
302.85 1.0000 0.2754
308.35 1.0000 0.3123
314.15 1.0000 0.3573
319.25 1.0000 0.3968
323.95 1.0000 0.4376
328.25 1.0000 0.4763
333.85 1.0000 0.5228
337.95 1.0000 0.5551
340.65 1.0000 0.5753
295.75 0.7000 0.2104
301.45 0.7000 0.2382
306.95 0.7000 0.2684
311.15 0.7000 0.2987
316.35 0.7000 0.3347
320.85 0.7000 0.3714
325.25 0.7000 0.4121
330.45 0.7000 0.4542
335.15 0.7000 0.4928
338.95 0.7000 0.5234
294.45 0.5000 0.1926
299.95 0.5000 0.2163
305.15 0.5000 0.2415
309.95 0.5000 0.2709
314.25 0.5000 0.3030
319.15 0.5000 0.3380
323.65 0.5000 0.3758
328.45 0.5000 0.4177
332.65 0.5000 0.4555
336.35 0.5000 0.4849
295.85 0.3000 0.1856
300.15 0.3000 0.2060
305.05 0.3000 0.2288
308.85 0.3000 0.2517
313.95 0.3000 0.2895
318.45 0.3000 0.3226
322.15 0.3000 0.3516
326.45 0.3000 0.3916
330.15 0.3000 0.4265
334.55 0.3000 0.4606
293.35 0.1000 0.1694
297.75 0.1000 0.1844
302.35 0.1000 0.2047
307.65 0.1000 0.2366
313.15 0.1000 0.2766
318.45 0.1000 0.3152
323.05 0.1000 0.3560
328.95 0.1000 0.4088
333.15 0.1000 0.4415
338.15 0.1000 0.4881

Sources