Registration Dossier
Registration Dossier
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EC number: 205-553-3 | CAS number: 142-71-2
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The estimation method used was designed to be compatible with internationally accepted guidelines and recommendations.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
Materials and methods
- Principles of method if other than guideline:
- Computer-based estimation method, Advanced Chemistry Development I-Lab Web Service (ACD I-Lab 2.0).
Test material
- Reference substance name:
- Copper di(acetate)
- EC Number:
- 205-553-3
- EC Name:
- Copper di(acetate)
- Cas Number:
- 142-71-2
- Molecular formula:
- Cu(CO2CH3)2
- IUPAC Name:
- copper di(acetate)
- Test material form:
- solid: crystalline
- Details on test material:
- - Name of test material (as cited in study report): Copper acetate monohydrate.
- Test material purity: 99.9 %
- Lot/batch No.: 11.6.1SD
- Storage condition of test material: Room temperature in the dark.
Constituent 1
Results and discussion
- Dissociating properties:
- yes
Dissociation constant
- pKa:
- >= 4.69 - <= 4.89
- Remarks on result:
- other: Estimated value using commercially available software for pKa prediction.
- Remarks:
- Estimated value is 4.79 +/- 0.1
Any other information on results incl. tables
The test item was determined to have an estimated dissociation constant of 4.79 ± 0.10.
Applicant's summary and conclusion
- Conclusions:
- Using computer-based software, copper di(acetate) monohydrate was determined to have an estimated dissociation constant of 4.79 ± 0.10.
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