Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
other: unpublished calculation
Title:
Unnamed
Year:
2017

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
The n-octanol/water partition coefficient was calculated via EPIWIN v4.11, KOWWIN v1.68.
GLP compliance:
no
Type of method:
other: Data estimated by calculation
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
1,3-Benzenediol, 2,4,6-trinitro-, calcium potassium salt
Cas Number:
1265906-36-2
IUPAC Name:
1,3-Benzenediol, 2,4,6-trinitro-, calcium potassium salt
Test material form:
solid

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
1.53
Remarks on result:
other: data estimated by calculation

Applicant's summary and conclusion

Conclusions:
The log Pow was calculated to be 1.53 at 25°C.
Executive summary:

The n-octanol/water partition coefficient of the test item was calculated via KOWWIN v1.68. According to the calculation, the log Pow is estimated to be 1.53.