Mixture of Omeprazole + Acetonitrile

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

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

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Datasets

Mole fraction (2)

Mole fraction of Omeprazole (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid	Mole fraction of Omeprazole (1) - Liquid
278.15	0.0012
283.15	0.0014
288.15	0.0018
293.15	0.0022
298.15	0.0027
303.15	0.0035
308.15	0.0043
313.15	0.0051
318.15	0.0061
323.15	0.0071
328.15	0.0084
333.15	0.0098

Mole fraction of Omeprazole (1) [ref]

Operational condition: Pressure, kPa = 100 (Liquid)

Temperature, K - Liquid	Mole fraction of Omeprazole (1) - Liquid
278.15	0.0012
283.15	0.0014
288.15	0.0018
293.15	0.0022
298.15	0.0027
303.15	0.0035
308.15	0.0043
313.15	0.0051
318.15	0.0061
323.15	0.0071
328.15	0.0084
333.15	0.0098

Sources

Thermodynamic models for determination of the solubility of omeprazole in pure and mixture organic solvents from T = (278.15 to 333.15) K

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