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Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: scientifically accepted software

Data source

Reference
Reference Type:
other: QSAR
Title:
unpublished calculation
Author:
BASF SE, D-67056 Ludwigshafen
Year:
2011
Bibliographic source:
SPARC, online query 23 Mar 2011

Materials and methods

Principles of method if other than guideline:
other: calculated
GLP compliance:
no

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

Results and discussion

Water solubility
Water solubility:
19.33 mg/L
Temp.:
25 °C

Any other information on results incl. tables

Calculation was performed without adjustment of pH value.

Applicant's summary and conclusion