Mixture of Nifedipine + Acetonitrile + Tetrahydrofuran

Excel

Nifedipine

Name
Nifedipine
InChI
InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
InChI Key
HYIMSNHJOBLJNT-UHFFFAOYSA-N
Formula
C17H18N2O6
SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
Mol. Weight (g/mol)
346.33
CAS
21829-25-4

Acetonitrile

Name
Acetonitrile
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Mol. Weight (g/mol)
41.05
CAS
75-05-8

Tetrahydrofuran

Name
Tetrahydrofuran
InChI
InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
InChI Key
WYURNTSHIVDZCO-UHFFFAOYSA-N
Formula
C4H8O
SMILES
C1CCOC1
Mol. Weight (g/mol)
72.11
CAS
109-99-9
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Datasets

  1. Mole fraction (2)

Mole fraction of Nifedipine (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Tetrahydrofuran (3) - Liquid Mole fraction of Nifedipine (1) - Liquid
278.15 0.0000 0.0061
278.15 0.1017 0.0090
278.15 0.2157 0.0121
278.15 0.3443 0.0156
278.15 0.4905 0.0190
278.15 0.6581 0.0225
278.15 0.8524 0.0259
278.15 1.0000 0.0283
283.15 0.0000 0.0074
283.15 0.1017 0.0106
283.15 0.2157 0.0141
283.15 0.3443 0.0181
283.15 0.4905 0.0218
283.15 0.6581 0.0258
283.15 0.8524 0.0295
283.15 1.0000 0.0322
288.15 0.0000 0.0096
288.15 0.1017 0.0129
288.15 0.2157 0.0165
288.15 0.3443 0.0206
288.15 0.4905 0.0244
288.15 0.6581 0.0285
288.15 0.8524 0.0323
288.15 1.0000 0.0351
293.15 0.0000 0.0112
293.15 0.1017 0.0150
293.15 0.2157 0.0192
293.15 0.3443 0.0240
293.15 0.4905 0.0285
293.15 0.6581 0.0332
293.15 0.8524 0.0377
293.15 1.0000 0.0410
298.15 0.0000 0.0131
298.15 0.1017 0.0174
298.15 0.2157 0.0221
298.15 0.3443 0.0274
298.15 0.4905 0.0324
298.15 0.6581 0.0377
298.15 0.8524 0.0427
298.15 1.0000 0.0463
303.15 0.0000 0.0159
303.15 0.1017 0.0206
303.15 0.2157 0.0257
303.15 0.3443 0.0315
303.15 0.4905 0.0369
303.15 0.6581 0.0427
303.15 0.8524 0.0482
303.15 1.0000 0.0522
308.15 0.0000 0.0188
308.15 0.1017 0.0241
308.15 0.2157 0.0298
308.15 0.3443 0.0364
308.15 0.4905 0.0425
308.15 0.6581 0.0491
308.15 0.8524 0.0552
308.15 1.0000 0.0597
313.15 0.0000 0.0221
313.15 0.1017 0.0281
313.15 0.2157 0.0345
313.15 0.3443 0.0418
313.15 0.4905 0.0487
313.15 0.6581 0.0560
313.15 0.8524 0.0629
313.15 1.0000 0.0679
318.15 0.0000 0.0265
318.15 0.1017 0.0328
318.15 0.2157 0.0396
318.15 0.3443 0.0473
318.15 0.4905 0.0545
318.15 0.6581 0.0622
318.15 0.8524 0.0694
318.15 1.0000 0.0747
323.15 0.0000 0.0314
323.15 0.1017 0.0384
323.15 0.2157 0.0459
323.15 0.3443 0.0545
323.15 0.4905 0.0625
323.15 0.6581 0.0711
323.15 0.8524 0.0792
323.15 1.0000 0.0851
328.15 0.0000 0.0370
328.15 0.1017 0.0451
328.15 0.2157 0.0538
328.15 0.3443 0.0637
328.15 0.4905 0.0730
328.15 0.6581 0.0828
328.15 0.8524 0.0921
328.15 1.0000 0.0989

Mole fraction of Nifedipine (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Tetrahydrofuran (3) - Liquid Mole fraction of Nifedipine (1) - Liquid
278.15 0.0000 0.0061
278.15 0.1017 0.0090
278.15 0.2157 0.0121
278.15 0.3443 0.0156
278.15 0.4905 0.0190
278.15 0.6581 0.0225
278.15 0.8524 0.0259
278.15 1.0000 0.0283
283.15 0.0000 0.0074
283.15 0.1017 0.0106
283.15 0.2157 0.0141
283.15 0.3443 0.0181
283.15 0.4905 0.0218
283.15 0.6581 0.0258
283.15 0.8524 0.0295
283.15 1.0000 0.0322
288.15 0.0000 0.0096
288.15 0.1017 0.0129
288.15 0.2157 0.0165
288.15 0.3443 0.0206
288.15 0.4905 0.0244
288.15 0.6581 0.0285
288.15 0.8524 0.0323
288.15 1.0000 0.0351
293.15 0.0000 0.0112
293.15 0.1017 0.0150
293.15 0.2157 0.0192
293.15 0.3443 0.0240
293.15 0.4905 0.0285
293.15 0.6581 0.0332
293.15 0.8524 0.0377
293.15 1.0000 0.0410
298.15 0.0000 0.0131
298.15 0.1017 0.0174
298.15 0.2157 0.0221
298.15 0.3443 0.0274
298.15 0.4905 0.0324
298.15 0.6581 0.0377
298.15 0.8524 0.0427
298.15 1.0000 0.0463
303.15 0.0000 0.0159
303.15 0.1017 0.0206
303.15 0.2157 0.0257
303.15 0.3443 0.0315
303.15 0.4905 0.0369
303.15 0.6581 0.0427
303.15 0.8524 0.0482
303.15 1.0000 0.0522
308.15 0.0000 0.0188
308.15 0.1017 0.0241
308.15 0.2157 0.0298
308.15 0.3443 0.0364
308.15 0.4905 0.0425
308.15 0.6581 0.0491
308.15 0.8524 0.0552
308.15 1.0000 0.0597
313.15 0.0000 0.0221
313.15 0.1017 0.0281
313.15 0.2157 0.0345
313.15 0.3443 0.0418
313.15 0.4905 0.0487
313.15 0.6581 0.0560
313.15 0.8524 0.0629
313.15 1.0000 0.0679
318.15 0.0000 0.0265
318.15 0.1017 0.0328
318.15 0.2157 0.0396
318.15 0.3443 0.0473
318.15 0.4905 0.0545
318.15 0.6581 0.0622
318.15 0.8524 0.0694
318.15 1.0000 0.0747
323.15 0.0000 0.0314
323.15 0.1017 0.0384
323.15 0.2157 0.0459
323.15 0.3443 0.0545
323.15 0.4905 0.0625
323.15 0.6581 0.0711
323.15 0.8524 0.0792
323.15 1.0000 0.0851
328.15 0.0000 0.0370
328.15 0.1017 0.0451
328.15 0.2157 0.0538
328.15 0.3443 0.0637
328.15 0.4905 0.0730
328.15 0.6581 0.0828
328.15 0.8524 0.0921
328.15 1.0000 0.0989

Sources