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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Value estimated by calculation

Data source

Reference
Reference Type:
secondary source
Title:
Partition coefficient
Author:
KOWWIN v1.68
Bibliographic source:
Episuite v 4.11

Materials and methods

GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
(3,4-diethoxyphenyl)acetonitrile
EC Number:
248-479-7
EC Name:
(3,4-diethoxyphenyl)acetonitrile
Cas Number:
27472-21-5
Molecular formula:
C12H15NO2
IUPAC Name:
(3,4-diethoxyphenyl)acetonitrile

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.19

Applicant's summary and conclusion

Conclusions:
The estimated log Kow of the substance is 2.19.