Mixture of Butanedioic acid + 2-Oxepanone + Acetic acid

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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

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. 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
299.95 0.7000 0.0149
304.75 0.7000 0.0179
309.65 0.7000 0.0214
314.45 0.7000 0.0261
318.95 0.7000 0.0311
324.05 0.7000 0.0374
328.85 0.7000 0.0443
333.75 0.7000 0.0522
337.45 0.7000 0.0584
340.15 0.7000 0.0635
300.05 0.5000 0.0137
304.75 0.5000 0.0164
309.95 0.5000 0.0200
314.65 0.5000 0.0242
318.45 0.5000 0.0276
323.85 0.5000 0.0338
327.35 0.5000 0.0382
331.95 0.5000 0.0448
336.45 0.5000 0.0511
340.15 0.5000 0.0573
299.45 0.3000 0.0129
304.05 0.3000 0.0150
309.15 0.3000 0.0181
314.35 0.3000 0.0221
318.75 0.3000 0.0260
323.55 0.3000 0.0309
329.05 0.3000 0.0373
333.95 0.3000 0.0434
337.55 0.3000 0.0486
340.65 0.3000 0.0532

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
299.95 0.7000 0.0149
304.75 0.7000 0.0179
309.65 0.7000 0.0214
314.45 0.7000 0.0261
318.95 0.7000 0.0311
324.05 0.7000 0.0374
328.85 0.7000 0.0443
333.75 0.7000 0.0522
337.45 0.7000 0.0584
340.15 0.7000 0.0635
300.05 0.5000 0.0137
304.75 0.5000 0.0164
309.95 0.5000 0.0200
314.65 0.5000 0.0242
318.45 0.5000 0.0276
323.85 0.5000 0.0338
327.35 0.5000 0.0382
331.95 0.5000 0.0448
336.45 0.5000 0.0511
340.15 0.5000 0.0573
299.45 0.3000 0.0129
304.05 0.3000 0.0150
309.15 0.3000 0.0181
314.35 0.3000 0.0221
318.75 0.3000 0.0260
323.55 0.3000 0.0309
329.05 0.3000 0.0373
333.95 0.3000 0.0434
337.55 0.3000 0.0486
340.65 0.3000 0.0532

Sources