Mixture of Omeprazole + Acetone

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: Acetone
InChI: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChI Key: CSCPPACGZOOCGX-UHFFFAOYSA-N
Formula: C3H6O
SMILES: CC(C)=O
Mol. Weight (g/mol): 58.08
CAS: 67-64-1

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

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	0.0015
283.15	0.0017
288.15	0.0022
293.15	0.0026
298.15	0.0031
303.15	0.0038
308.15	0.0046
313.15	0.0054
318.15	0.0064
323.15	0.0074
328.15	0.0085
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	0.0015
283.15	0.0017
288.15	0.0022
293.15	0.0026
298.15	0.0031
303.15	0.0038
308.15	0.0046
313.15	0.0054
318.15	0.0064
323.15	0.0074
328.15	0.0085
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.