Mixture of 2-Oxepanone + Cyclohexanone + 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

Cyclohexanone

Name
Cyclohexanone
InChI
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
InChI Key
JHIVVAPYMSGYDF-UHFFFAOYSA-N
Formula
C6H10O
SMILES
O=C1CCCCC1
Mol. Weight (g/mol)
98.14
CAS
108-94-1

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
296.35 0.7000 0.2189
302.15 0.7000 0.2479
307.65 0.7000 0.2869
313.35 0.7000 0.3272
318.95 0.7000 0.3692
323.75 0.7000 0.4072
328.25 0.7000 0.4514
332.15 0.7000 0.4877
337.35 0.7000 0.5262
340.45 0.7000 0.5526
297.15 0.5000 0.2009
301.95 0.5000 0.2274
307.65 0.5000 0.2628
313.05 0.5000 0.2977
317.55 0.5000 0.3301
322.15 0.5000 0.3662
326.25 0.5000 0.4074
331.15 0.5000 0.4493
334.35 0.5000 0.4794
338.95 0.5000 0.5149
300.25 0.0000 0.1964
306.25 0.0000 0.2213
310.05 0.0000 0.2448
314.55 0.0000 0.2788
317.45 0.0000 0.3032
321.95 0.0000 0.3438
327.05 0.0000 0.3918
330.15 0.0000 0.4211
334.35 0.0000 0.4601
337.65 0.0000 0.4898

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
296.35 0.7000 0.2189
302.15 0.7000 0.2479
307.65 0.7000 0.2869
313.35 0.7000 0.3272
318.95 0.7000 0.3692
323.75 0.7000 0.4072
328.25 0.7000 0.4514
332.15 0.7000 0.4877
337.35 0.7000 0.5262
340.45 0.7000 0.5526
297.15 0.5000 0.2009
301.95 0.5000 0.2274
307.65 0.5000 0.2628
313.05 0.5000 0.2977
317.55 0.5000 0.3301
322.15 0.5000 0.3662
326.25 0.5000 0.4074
331.15 0.5000 0.4493
334.35 0.5000 0.4794
338.95 0.5000 0.5149
300.25 0.0000 0.1964
306.25 0.0000 0.2213
310.05 0.0000 0.2448
314.55 0.0000 0.2788
317.45 0.0000 0.3032
321.95 0.0000 0.3438
327.05 0.0000 0.3918
330.15 0.0000 0.4211
334.35 0.0000 0.4601
337.65 0.0000 0.4898

Sources