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Diss Factsheets

Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13.08.2012 to 04.09.2012
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other:
Principles of method if other than guideline:
Determination of ratio of concentrations of a compound in the two phases of a mixture of Octanol-Water at equilibrium
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
EC Number:
279-900-2
EC Name:
1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
Cas Number:
82104-74-3
Molecular formula:
C9H5NO2
IUPAC Name:
1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
Test material form:
solid: crystalline
Details on test material:
- Name of test material: 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
- Molecular formula: C9H5NO2
- Substance type: Organic
- Physical state: Solid

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
0.136
Temp.:
30 °C
pH:
5.03

Applicant's summary and conclusion

Conclusions:
The experimental value of Octonal-Water Partition Co-efficient (log Pow) of 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was found to be 0.136 at temperature of 30 Deg C . This value indicates that 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile is Relatively hydrophobic in nature
Executive summary:

The experimental value of Octonal-Water Partition Co-efficient (log Pow) of 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile by Shake Flask method was found to be 0.136 at temperature of 30 Deg C . This value indicates that 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile is Relatively hydrophobic in nature.