Mixture of flubendazole + 1,4-Dioxane

flubendazole

Name
flubendazole
InChI
InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)
InChI Key
CPEUVMUXAHMANV-UHFFFAOYSA-N
Formula
C16H12FN3O3
SMILES
COC(=O)Nc1nc2ccc(C(=O)c3ccc(F)cc3)cc2[nH]1
Mol. Weight (g/mol)
313.29

1,4-Dioxane

Name
1,4-Dioxane
InChI
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChI Key
RYHBNJHYFVUHQT-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
C1COCCO1
Mol. Weight (g/mol)
88.11
CAS
123-91-1
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

  1. Mole fraction

Mole fraction of flubendazole (1) [ref]

Operational condition: Pressure, kPa = 101.2 (Liquid)

Temperature, K - Liquid Mole fraction of flubendazole (1) - Liquid
288.15 0.0001
293.15 0.0001
298.15 0.0001
303.15 0.0001
308.15 0.0002
313.15 0.0002
318.15 0.0002
323.15 0.0003
328.15 0.0003
333.15 0.0004

Sources