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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Dissociation constant

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Administrative data

Link to relevant study record(s)

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.