Mixture of Chlorhexidine + Water

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: Water
InChI: InChI=1S/H2O/h1H2
InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula: H2O
SMILES: O
Mol. Weight (g/mol): 18.02
CAS: 7732-18-5

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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
283.15	1.4520e-06
288.15	2.0290e-06
293.15	2.7870e-06
298.15	3.8380e-06
303.15	5.2120e-06
308.15	7.0610e-06
313.15	9.3200e-06
318.15	0.0000
323.15	0.0000

Mole fraction of Chlorhexidine (1) [ref]

Operational condition: Pressure, kPa = 101.1 (Liquid)

Temperature, K - Liquid	Mole fraction of Chlorhexidine (1) - Liquid
283.15	1.4520e-06
288.15	2.0290e-06
293.15	2.7870e-06
298.15	3.8380e-06
303.15	5.2120e-06
308.15	7.0610e-06
313.15	9.3200e-06
318.15	0.0000
323.15	0.0000

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)

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