Registration Dossier
Registration Dossier
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EC number: - | CAS number: -
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 15 March 2013 to 21 August 2014
- 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
- Principles of method if other than guideline:
- Physical study could not be completed due to water solubility (<0.0506 mg/L) therefore a computer estimation was completed.
- GLP compliance:
- yes (incl. QA statement)
- Dissociating properties:
- no
- pKa:
- 16.4
- Temp.:
- 20 °C
- Remarks on result:
- other: Computer estimation gave pKas for the amide nitrogen component of substance
- pKa:
- -0.48
- Temp.:
- 20 °C
- Remarks on result:
- other: Computer estimation gave pKas for the amide nitrogen
- Conclusions:
- The dissociation constant of the test material could not be completed due to the very low water solubility (<0.0506 mg/L). Computer estimation gave pKas for the amide nitrogen at 16.4 and -0.48.
- Executive summary:
Due to the very low water solubility of the test material (less than 0.0506 mg/L), a physical study could not be completed, therefore an OECD Guideline 112 was not carried out. Computer estimation, conducted within a laboratory, under GLP conditions, gave pKas for the amide nitrogen at 16.4 and -0.48.
Reference
Description of key information
Due to the very low water solubility of the test material (less than 0.0506 mg/L), a physical study could not be completed, therefore an OECD Guideline 112 was not carried out. Computer estimation, conducted within a laboratory, under GLP conditions, gave pKas for the amide nitrogen at 16.4 and -0.48.Key value for chemical safety assessment
- pKa at 20°C:
- 16.43
Additional information
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