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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:
2018-01-31 - 2018-04-19
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose:
reference to same study
Reason / purpose:
reference to same study
Qualifier:
according to
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
Deviations:
no
GLP compliance:
yes
Dissociating properties:
yes
pKa:
1.8
Remarks on result:
other: Temp. not stated

OECD 112 Test sample dissociation constants in water were determined by acid/base titration. The test sample was prepared as a stock concentrate in methanol and diluted to a final concentration of 12 ppm. Acid and then Base titration was performed on the aqueous solutions using hydrochloric acid or sodium hydroxide for the titrations in triplicate (respectively). Curve fit was performed and the pKa values were determined at 50 % of the test sample equivalence point of pH 5.8. Test sample demonstrated a pKa of 1.8, and a pKb of 11.3

Conclusions:
Test sample demonstrated a pKa of 1.8, and a pKb of 11.3.
Executive summary:

A study was conducted to determine the dissociation constant of the test-sample according to GLP and OECD Guideline 117.

Test sample dissociation constants in water were determined by acid/base titration.

Test sample demonstrated a pKa of 1.8, and a pKb of 11.3

Description of key information

A study was conducted to determine the dissociation constant of the test-sample according to GLP and OECD Guideline 117.

Test sample dissociation constants in water were determined by acid/base titration.

Test sample demonstrated a pKa of 1.8, and a pKb of 11.3

Key value for chemical safety assessment

pKa at 20°C:
1.8

Additional information

No temperature for pKa was stated in study report.