Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: well performed calculation based on reliable data

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2014
Report Date:
2014

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: calculation
Principles of method if other than guideline:
Due to the very low solubilities in water and n-octanol of the substance the direct determination of the Partition Coefficient is not possible or leads to wrong results. Therefore a calculation of this endpoint is performed using the individual solubilities in water and n-octanol as described in the chapters 4.8 and 4.9
GLP compliance:
no
Type of method:
other: calculation
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
purity > 99.7 %

Study design

Analytical method:
other: The analytical methods for the underlying data are given in section 4.8 and 4.9

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
4.51
Temp.:
23 °C
pH:
ca. 7
Remarks on result:
other: calculated from the individual solubilities in water and n-octanol

Any other information on results incl. tables

At room temperature (23-24 °C), the solubility in octanol was determined to be 770 mg/L (section 4.9) and the solubility in water was determined to be 24 µg/L (section 4.8), With the equation given below, the following values were calculated:

Pow = Solubility in octanol / solubility in water = 770000 µg/L / 24 µg/L

Pow = 32083

log Pow = 4.51

Applicant's summary and conclusion

Conclusions:
The test substance has a log Pow of 4.51
Executive summary:

The log Pow of the test substance was calculated from the individual solubilities in water (24 µg/L) and in octanol (770 mg/L). The log Pow at 23. °C is 4.51.