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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:
25.10.2012 to 06.11.2012
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:
2,2,2-trifluoroacetamide
EC Number:
206-559-9
EC Name:
2,2,2-trifluoroacetamide
Cas Number:
354-38-1
Molecular formula:
C2H2F3NO
IUPAC Name:
2,2,2-trifluoroacetamide
Test material form:
solid: crystalline
Details on test material:
- Name of test material : 2,2,2-trifluoroacetamide
- Molecular formula : C2H2F3NO
- Substance type: Organic
- Physical state: Solid

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
0.725
Temp.:
23 °C
pH:
4.83
Details on results:
Converting the above Pow value into its Log value, the Log Pow of 2,2,2-trifluoroacetamide is 0.72509 at temperature 23 degC and pH of 4.83

Applicant's summary and conclusion

Conclusions:
The experimental value of octanol water partition co-efficient (log Pow) of 2,2,2-trifluoroacetamide by Shake flask method was found to be 0.72509 at temperature 23 degC and pH of 4.83.
Executive summary:

The experimental value of octanol water partition co-efficient (log Pow) of 2,2,2-trifluoroacetamide by Shake flask method was found to be 0.72509 at temperature 23 degC and pH of 4.83.This value indicates that 2,2,2-trifluoroacetamide is relatively intermediate in nature.