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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The calculation was using the scientific authoritative software program as recommended in Guideline under REACH Regulation (EC) No 1907/2006
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: unpublished calculation
Title:
EPI Suite Results For CAS
Bibliographic source:
EPI Suite version 4.10, online query 16.01.2013
Report date:
2013

Materials and methods

Principles of method if other than guideline:
The calculation was based on fragment method using KOWWIN (v1.68) module of software EPI Suite v.4.10
GLP compliance:
no
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
p-phenylbenzonitrile
EC Number:
220-860-2
EC Name:
p-phenylbenzonitrile
Cas Number:
2920-38-9
Molecular formula:
C13H9N
IUPAC Name:
biphenyl-4-carbonitrile
Details on test material:
- Substance type: organic
- Physical state: solid

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.3
Temp.:
25 °C
Remarks on result:
other: calculated

Applicant's summary and conclusion