Mixture of Omeprazole + Ethyl Acetate + Tetrahydrofuran

Omeprazole

Name
Omeprazole
InChI
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChI Key
SUBDBMMJDZJVOS-UHFFFAOYSA-N
Formula
C17H19N3O3S
SMILES
COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1
Mol. Weight (g/mol)
345.42

Ethyl Acetate

Name
Ethyl Acetate
InChI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChI Key
XEKOWRVHYACXOJ-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
CCOC(C)=O
Mol. Weight (g/mol)
88.11
CAS
141-78-6

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 Omeprazole (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Tetrahydrofuran (3) - Liquid Mole fraction of Omeprazole (1) - Liquid
278.15 0.0000 0.0010
278.15 0.1748 0.0013
278.15 0.3397 0.0017
278.15 0.4955 0.0022
278.15 0.6429 0.0028
278.15 0.7826 0.0032
278.15 0.9153 0.0039
278.15 1.0000 0.0046
283.15 0.0000 0.0011
283.15 0.1748 0.0017
283.15 0.3397 0.0024
283.15 0.4955 0.0031
283.15 0.6429 0.0039
283.15 0.7826 0.0048
283.15 0.9153 0.0055
283.15 1.0000 0.0064
288.15 0.0000 0.0013
288.15 0.1748 0.0023
288.15 0.3397 0.0033
288.15 0.4955 0.0044
288.15 0.6429 0.0055
288.15 0.7826 0.0066
288.15 0.9153 0.0077
288.15 1.0000 0.0084
293.15 0.0000 0.0016
293.15 0.1748 0.0028
293.15 0.3397 0.0042
293.15 0.4955 0.0058
293.15 0.6429 0.0072
293.15 0.7826 0.0088
293.15 0.9153 0.0102
293.15 1.0000 0.0113
298.15 0.0000 0.0019
298.15 0.1748 0.0035
298.15 0.3397 0.0053
298.15 0.4955 0.0073
298.15 0.6429 0.0093
298.15 0.7826 0.0113
298.15 0.9153 0.0132
298.15 1.0000 0.0146
303.15 0.0000 0.0022
303.15 0.1748 0.0045
303.15 0.3397 0.0069
303.15 0.4955 0.0097
303.15 0.6429 0.0123
303.15 0.7826 0.0151
303.15 0.9153 0.0177
303.15 1.0000 0.0196
308.15 0.0000 0.0025
308.15 0.1748 0.0056
308.15 0.3397 0.0088
308.15 0.4955 0.0126
308.15 0.6429 0.0161
308.15 0.7826 0.0198
308.15 0.9153 0.0233
308.15 1.0000 0.0259
313.15 0.0000 0.0029
313.15 0.1748 0.0068
313.15 0.3397 0.0110
313.15 0.4955 0.0157
313.15 0.6429 0.0202
313.15 0.7826 0.0250
313.15 0.9153 0.0295
313.15 1.0000 0.0327
318.15 0.0000 0.0034
318.15 0.1748 0.0085
318.15 0.3397 0.0140
318.15 0.4955 0.0202
318.15 0.6429 0.0261
318.15 0.7826 0.0323
318.15 0.9153 0.0382
318.15 1.0000 0.0425
323.15 0.0000 0.0040
323.15 0.1748 0.0106
323.15 0.3397 0.0177
323.15 0.4955 0.0257
323.15 0.6429 0.0333
323.15 0.7826 0.0414
323.15 0.9153 0.0490
323.15 1.0000 0.0545
328.15 0.0000 0.0047
328.15 0.1748 0.0127
328.15 0.3397 0.0213
328.15 0.4955 0.0312
328.15 0.6429 0.0404
328.15 0.7826 0.0503
328.15 0.9153 0.0596
328.15 1.0000 0.0663
333.15 0.0000 0.0052
333.15 0.1748 0.0148
333.15 0.3397 0.0251
333.15 0.4955 0.0369
333.15 0.6429 0.0479
333.15 0.7826 0.0597
333.15 0.9153 0.0708
333.15 1.0000 0.0789

Mole fraction of Omeprazole (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Fixed Measured
Temperature, K - Liquid Solvent: Mole fraction of Tetrahydrofuran (3) - Liquid Mole fraction of Omeprazole (1) - Liquid
278.15 0.0000 0.0010
278.15 0.1748 0.0013
278.15 0.3397 0.0017
278.15 0.4955 0.0022
278.15 0.6429 0.0028
278.15 0.7826 0.0032
278.15 0.9153 0.0039
278.15 1.0000 0.0046
283.15 0.0000 0.0011
283.15 0.1748 0.0017
283.15 0.3397 0.0024
283.15 0.4955 0.0031
283.15 0.6429 0.0039
283.15 0.7826 0.0048
283.15 0.9153 0.0055
283.15 1.0000 0.0064
288.15 0.0000 0.0013
288.15 0.1748 0.0023
288.15 0.3397 0.0033
288.15 0.4955 0.0044
288.15 0.6429 0.0055
288.15 0.7826 0.0066
288.15 0.9153 0.0077
288.15 1.0000 0.0084
293.15 0.0000 0.0016
293.15 0.1748 0.0028
293.15 0.3397 0.0042
293.15 0.4955 0.0058
293.15 0.6429 0.0072
293.15 0.7826 0.0088
293.15 0.9153 0.0102
293.15 1.0000 0.0113
298.15 0.0000 0.0019
298.15 0.1748 0.0035
298.15 0.3397 0.0053
298.15 0.4955 0.0073
298.15 0.6429 0.0093
298.15 0.7826 0.0113
298.15 0.9153 0.0132
298.15 1.0000 0.0146
303.15 0.0000 0.0022
303.15 0.1748 0.0045
303.15 0.3397 0.0069
303.15 0.4955 0.0097
303.15 0.6429 0.0123
303.15 0.7826 0.0151
303.15 0.9153 0.0177
303.15 1.0000 0.0196
308.15 0.0000 0.0025
308.15 0.1748 0.0056
308.15 0.3397 0.0088
308.15 0.4955 0.0126
308.15 0.6429 0.0161
308.15 0.7826 0.0198
308.15 0.9153 0.0233
308.15 1.0000 0.0259
313.15 0.0000 0.0029
313.15 0.1748 0.0068
313.15 0.3397 0.0110
313.15 0.4955 0.0157
313.15 0.6429 0.0202
313.15 0.7826 0.0250
313.15 0.9153 0.0295
313.15 1.0000 0.0327
318.15 0.0000 0.0034
318.15 0.1748 0.0085
318.15 0.3397 0.0140
318.15 0.4955 0.0202
318.15 0.6429 0.0261
318.15 0.7826 0.0323
318.15 0.9153 0.0382
318.15 1.0000 0.0425
323.15 0.0000 0.0040
323.15 0.1748 0.0106
323.15 0.3397 0.0177
323.15 0.4955 0.0257
323.15 0.6429 0.0333
323.15 0.7826 0.0414
323.15 0.9153 0.0490
323.15 1.0000 0.0545
328.15 0.0000 0.0047
328.15 0.1748 0.0127
328.15 0.3397 0.0213
328.15 0.4955 0.0312
328.15 0.6429 0.0404
328.15 0.7826 0.0503
328.15 0.9153 0.0596
328.15 1.0000 0.0663
333.15 0.0000 0.0052
333.15 0.1748 0.0148
333.15 0.3397 0.0251
333.15 0.4955 0.0369
333.15 0.6429 0.0479
333.15 0.7826 0.0597
333.15 0.9153 0.0708
333.15 1.0000 0.0789

Sources

Note: These property values are available through the Cheméo API. A free account gives you an access key.