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Physical & Chemical properties

Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2003-04-09 to 2003-06-13
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
GLP compliance:
yes
Dissociating properties:
no
No.:
#1
pKa:
-0.51
Remarks on result:
other: Estimated value

One pKa value was calculated using Pkalc version 5:

Acidic groups: RSO3H

Basic groups: none

Conclusions:
The test material does not have a pKa value in the pH range 1 to 14.
Executive summary:

Experimental dissociation constants (pKa) in water using either the titration or spectrophotometric method outlined under OECD Guideline 112 are applicable if the pKa value is in the range 2 to 11. Using Pkalc version 5 the dissociation constant for the acidic group, RSO3H, was estimated to be -0.51. The experimental methods are therefore not valid for the test material.

Based on the results of the calculation the test material does not have a pKa value on the pH range 1 - 14.

Description of key information

The substance does not have a pKa value on the pH range 1 - 14.

Key value for chemical safety assessment

Additional information

Experimental dissociation constants (pKa) in water using either the titration or spectrophotometric method outlined under OECD Guideline 112 are applicable if the pKa value is in the range 2 to 11. Using Pkalc version 5 the dissociation constant for the acidic group, RSO3H, was estimated to be -0.51. The experimental methods are therefore not valid for the test material.

Based on the results of the calculation the test material does not have a pKa value on the pH range 1 - 14.