Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Online Database
Title:
KOWWIN v1.67
Author:
SRC Inc.
Year:
2016
Bibliographic source:
U.S. Environmental Protection Agency, Washington, District of Columbia

Materials and methods

Principles of method if other than guideline:
EPISuite KOWWIN v1.67 estimate
GLP compliance:
no
Type of method:
other:
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Bis(1,3-dimethylbutyl) maleate
EC Number:
203-304-3
EC Name:
Bis(1,3-dimethylbutyl) maleate
Cas Number:
105-52-2
Molecular formula:
C16H28O4
IUPAC Name:
bis(1,3-dimethylbutyl) maleate

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
ca. 5.83
Temp.:
25 °C
pH:
ca. 7

Applicant's summary and conclusion

Conclusions:
A reliable QSAR method predicts a value for the partition coefficient n-octanol/water (log Kow) of 5.83
Executive summary:

A reliable QSAR method predicts a value for the partition coefficient n-octanol/water (log Kow) of 5.83