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Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
27.09.2012-16.10.2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with national standard methods
Justification for type of information:
Experimental test result performed using standard test guidelines
Qualifier:
according to guideline
Guideline:
other: as mention below
Principles of method if other than guideline:
Measurement of capacity of a compound to dissociate into respective ions.
GLP compliance:
no
Specific details on test material used for the study:
- Name of test material : 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
- Molecular formula : C13H19Cl3N2
- Molecular weight : 309.66 g/mol
- Smiles notation : ClCCCN1CCN{+}(.Cl{-})(c2cccc(Cl)c2)CC1
- InChl : 1S/C13H18Cl2N2.ClH/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13;/h1,3-4,11H,2,5-10H2;1H
- Substance type : Organic
- Physical state : Solid
Dissociating properties:
yes
No.:
#1
pKa:
0
Temp.:
28 °C
Remarks on result:
other: 0.0000000007 (0.07 x 10-8)
No.:
#2
pKa:
0
Temp.:
28 °C
Remarks on result:
other: 0.000000001 (0.10 x 10-8)
No.:
#3
pKa:
0
Temp.:
28 °C
Remarks on result:
other: 0.0000000008 (0.08 x 10-8)
Conclusions:
The experimental pKa value for test chemical was determine to be 0.0000000007 ,0.000000001 ,0.000000000000175 at 28 deg C.
Executive summary:

The experimental pKa value for test chemical was determine to be 0.0000000007 ,0.000000001 ,0.000000000000175 at 28 deg C.

Description of key information

The experimental pKa value for test chemical was determine to be 0.0000000007 ,0.000000001 ,0.000000000000175 at 28 deg C.

Key value for chemical safety assessment

Additional information

The experimental pKa value for test chemical was determine to be 0.0000000007 ,0.000000001 ,0.000000000000175 at 28 deg C.