Mixture of Chlorhexidine + 1,4-Dioxane

Name: Chlorhexidine
InChI: InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
InChI Key: GHXZTYHSJHQHIJ-UHFFFAOYSA-N
Formula: C22H30Cl2N10
SMILES: NC(=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1)N=C(N)Nc1ccc(Cl)cc1
Mol. Weight (g/mol): 505.46

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

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Datasets

Mole fraction (2)

Mole fraction of Chlorhexidine (1) [ref]

Operational condition: Pressure, kPa = 101.1 (Liquid)

Temperature, K - Liquid	Mole fraction of Chlorhexidine (1) - Liquid
288.15	0.0006
293.15	0.0007
298.15	0.0008
303.15	0.0009
308.15	0.0010
313.15	0.0012
318.15	0.0013
323.15	0.0015

Mole fraction of Chlorhexidine (1) [ref]

Operational condition: Pressure, kPa = 101.1 (Liquid)

Temperature, K - Liquid	Mole fraction of Chlorhexidine (1) - Liquid
288.15	0.0006
293.15	0.0007
298.15	0.0008
303.15	0.0009
308.15	0.0010
313.15	0.0012
318.15	0.0013
323.15	0.0015

Sources

Equilibrium solubility, solvent effect and preferential solvation of chlorhexidine in aqueous co-solvent solutions of (methanol, ethanol, N,N-dimethylformamide and 1,4-dioxane)

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