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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Remarks:
Woolley, Mullee (2002b) IIA 02/13
Type of information:
experimental study
Adequacy of study:
key study
Study period:
5 August 2002 to 16 August 2002
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
IR5878 Analytical standard
99.65% pure
Batch number G 032/02
Received 23 July 2002
Stored cold at approximately 4C in the dark
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
ca. 2.02
Temp.:
20 °C
pH:
ca. 4
Key result
Type:
log Pow
Partition coefficient:
ca. 1.31
Temp.:
20 °C
pH:
ca. 7
Key result
Type:
log Pow
Partition coefficient:
< 0.3
Temp.:
20 °C
pH:
ca. 9
Conclusions:
Partition coefficient
The partition coefficient (including effect of pH) has been determined using the HPLC method. The results indicate that pH has a significant effect on partition coefficient.
HPLC method
pH=4 Log(P) = 2.02
pH=7 Log(P) = 1.31
pH=9 Log(P) = < 0.3

Substances having a log10Pow greater than 3 are regarded as having the potential to bioaccumulate in the environment, these results are significantly lower than 3 at all pH levels tested.
Executive summary:

Partition coefficient

The partition coefficient (including effect of pH) has been determined using the HPLC method. The results indicate that pH has a significant effect on partition coefficient.

HPLC method

pH=4       Log(P) = 2.02

pH=7       Log(P) = 1.31

pH=9       Log(P) = < 0.3

Substances having a log10Pow greater than 3 are regarded as having the potential to bioaccumulate in the environment, these results are significantly lower than 3 at all pH levels tested.

Description of key information

Partition coefficient

The partition coefficient (including effect of pH) has been determined using the HPLC method. The results indicate that pH has a significant effect on partition coefficient.

HPLC method

pH=4       Log(P) = 2.02

pH=7       Log(P) = 1.31

pH=9       Log(P) = < 0.3

Substances having a log10 Pow greater than 3 are regarded as having the potential to bioaccumulate in the environment, these results are significantly lower than 3 at all pH levels tested.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.31
at the temperature of:
20 °C

Additional information