Mixture of Butanedioic acid + 2-Oxepanone + Cyclohexanone

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Butanedioic acid

Name
Butanedioic acid
InChI
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChI Key
KDYFGRWQOYBRFD-UHFFFAOYSA-N
Formula
C4H6O4
SMILES
O=C(O)CCC(=O)O
Mol. Weight (g/mol)
118.09
CAS
110-15-6

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
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Datasets

  1. Mole fraction (2)

Mole fraction of Butanedioic acid (1) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of 2-Oxepanone (2) - Liquid Mole fraction of Butanedioic acid (1) - Liquid
298.35 1.0000 0.0155
303.15 1.0000 0.0189
308.45 1.0000 0.0238
313.35 1.0000 0.0293
317.75 1.0000 0.0352
322.05 1.0000 0.0413
327.85 1.0000 0.0505
332.15 1.0000 0.0585
336.85 1.0000 0.0680
340.15 1.0000 0.0751
299.65 0.7000 0.0132
303.95 0.7000 0.0167
308.15 0.7000 0.0204
312.85 0.7000 0.0251
316.25 0.7000 0.0286
321.05 0.7000 0.0341
325.75 0.7000 0.0407
330.55 0.7000 0.0486
335.05 0.7000 0.0570
339.75 0.7000 0.0667
298.95 0.5000 0.0116
303.55 0.5000 0.0150
308.45 0.5000 0.0189
313.25 0.5000 0.0236
319.45 0.5000 0.0296
323.35 0.5000 0.0339
329.05 0.5000 0.0415
333.35 0.5000 0.0482
336.55 0.5000 0.0536
339.95 0.5000 0.0598
299.05 0.3000 0.0101
303.95 0.3000 0.0137
307.85 0.3000 0.0167
311.25 0.3000 0.0198
316.05 0.3000 0.0239
321.35 0.3000 0.0291
325.65 0.3000 0.0339
330.85 0.3000 0.0398
335.95 0.3000 0.0472
339.85 0.3000 0.0536
300.85 0.0000 0.0109
305.05 0.0000 0.0138
309.55 0.0000 0.0173
314.35 0.0000 0.0216
319.25 0.0000 0.0247
323.65 0.0000 0.0287
327.95 0.0000 0.0333
333.25 0.0000 0.0383
337.85 0.0000 0.0430
340.65 0.0000 0.0482

Mole fraction of Butanedioic acid (1) [ref]

Operational condition: Pressure, kPa = 101.3 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mass fraction of 2-Oxepanone (2) - Liquid Mole fraction of Butanedioic acid (1) - Liquid
298.35 1.0000 0.0155
303.15 1.0000 0.0189
308.45 1.0000 0.0238
313.35 1.0000 0.0293
317.75 1.0000 0.0352
322.05 1.0000 0.0413
327.85 1.0000 0.0505
332.15 1.0000 0.0585
336.85 1.0000 0.0680
340.15 1.0000 0.0751
299.65 0.7000 0.0132
303.95 0.7000 0.0167
308.15 0.7000 0.0204
312.85 0.7000 0.0251
316.25 0.7000 0.0286
321.05 0.7000 0.0341
325.75 0.7000 0.0407
330.55 0.7000 0.0486
335.05 0.7000 0.0570
339.75 0.7000 0.0667
298.95 0.5000 0.0116
303.55 0.5000 0.0150
308.45 0.5000 0.0189
313.25 0.5000 0.0236
319.45 0.5000 0.0296
323.35 0.5000 0.0339
329.05 0.5000 0.0415
333.35 0.5000 0.0482
336.55 0.5000 0.0536
339.95 0.5000 0.0598
299.05 0.3000 0.0101
303.95 0.3000 0.0137
307.85 0.3000 0.0167
311.25 0.3000 0.0198
316.05 0.3000 0.0239
321.35 0.3000 0.0291
325.65 0.3000 0.0339
330.85 0.3000 0.0398
335.95 0.3000 0.0472
339.85 0.3000 0.0536
300.85 0.0000 0.0109
305.05 0.0000 0.0138
309.55 0.0000 0.0173
314.35 0.0000 0.0216
319.25 0.0000 0.0247
323.65 0.0000 0.0287
327.95 0.0000 0.0333
333.25 0.0000 0.0383
337.85 0.0000 0.0430
340.65 0.0000 0.0482

Sources