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Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
other information
Study period:
from 1999-04-16 to 2000-03-01
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
Deviations:
no
GLP compliance:
yes
Specific details on test material used for the study:
Batch No.: 13111BR
pKa:
6.15
Temp.:
20 °C

Summary results

titration 1

titration 2

titration3

6.1150

6.1499

6.1323

6.1197

6.1439

6.1499

6.1203

6.1410

6.1574

6.1309

6.1450

6.1545

6.1314

6.1505

6.1543

6.1416

6.1591

6.1643

6.1462

6.1583

6.1669

6.1464

6.1618

6.1649

6.1550

6.1624

6.1685

6.1585

6.1663

6.1767

6.1568

6.1704

6.1792

6.1534

6.1677

6.1721

6.1439

6.1630

6.1759

 

6.1659

 

 

6.1674

 

 

6.1706

 

 

6.1561

 

 

6.1480

 

 

6.1275

 

6.14 ± 0.02

6.16 ± 0.01

6.16 ± 0.01

Mean pKa values: 6.15

SD: 0.02

Conclusions:
The pKa-value of an aqueous solution (0.01 mol/L) of the test item at 20 °C was 6.15 ± 0.02.
Executive summary:

The dissociation constant of the test item was determined according to OECD TG 112 using the potentiometric method. Therefore, samples of the test substance were titrated with 1N NaOH under nitrogen atmosphere and at 20 °C. From the recorded values of the added volume of NaOH and the corresponding pH-value the pKs-value was calculated. Three determinations were performed under constant conditions. The pKa-value of an aqueous solution (0.01 mol/L) of the test item at 20 °C was 6.15 ± 0.02.

Description of key information

The pKa-value of an aqueous solution (0.01 mol/L) of the test item at 20 °C was 6.15 ± 0.02.

Key value for chemical safety assessment

pKa at 20°C:
6.15

Additional information

The dissociation constant of the test item was determined according to OECD TG 112 using the potentiometric method. Therefore, samples of the test substance were titrated with 1N NaOH under nitrogen atmosphere and at 20 °C. From the recorded values of the added volume of NaOH and the corresponding pH-value the pKs-value was calculated. Three determinations were performed under constant conditions. The pKa-value of an aqueous solution (0.01 mol/L) of the test item at 20 °C was 6.15 ± 0.02.

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