Copper di(acetate)

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:

2012

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

Test material information

Constituent 1

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.

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.