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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
EPISuite model used (KowWIN) which itself was in line with data published on similar substances
The substance is a hydrocarbon and considered miscible in octanol and is poorly soluble in water.

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2021
Report date:
2021

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
EPISuite model used (KowWIN) which itself was in line with data published on similar substances
GLP compliance:
no
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Isoalkanes, C17 -C22 linear and branched
EC Number:
954-736-0
Molecular formula:
C17H36 x C22H46
IUPAC Name:
Isoalkanes, C17 -C22 linear and branched
Test material form:
liquid

Study design

Analytical method:
other: Modelling

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
ca. 9
Temp.:
20
pH:
ca. 7
Remarks on result:
other: The pH is not relevant
Details on results:
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 9.18

Applicant's summary and conclusion

Conclusions:
This class of hydrocarbon is miscible in octanol and sparingly soluble in water.
The estimed Log Kow is in line with data on similar substances and is considered adequate for assessment.