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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From December 10, 2011 to March 28, 2012
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Batch HTIF11021
Analytical method:
high-performance liquid chromatography
Key result
Type:
Pow
Partition coefficient:
920
Temp.:
25 °C
pH:
7
Key result
Type:
log Pow
Partition coefficient:
3
Temp.:
25 °C
pH:
7

Solutions of reference substances and the test substance were analysed. The capacity factor (k') of each compound was calculated from its retention time. The log k' values of the references substances were plotted against the known log Pow values. A linear regression program was used to calculate the calibration curve. Linear regression analysis was performed using the least squares method. The coefficient of correlation (r) was calculated. The log Pow value for the test substance was calculated by substituting its mean log k‟ in the calibration curve. The value of log Pow obtained from duplicate measurements was within +/- 0.1 log units.

Equations:

Capacity factor (k') = (tr - t0)/t0 (where: tr = retention time, and t0 = mean column dead time)

Calibration curve (logK') = a logPow + b (where: a = slope, and b intercept)

The equation of the regression line was: log k' = 0.321 x log Pow – 0.761 (r = 0.990, n = 12).

Conclusions:
Under the study conditons, the partition coefficient (Pow) of the test substance was determined to be 9.2E02 and the logPow was 3.0, at neutral pH.
Executive summary:

A study was conducted to determine the partition coefficient of the test substance according to OECD Guideline 117 and EU Method A.8. The test substance is a polymeric compound with a Mn of 950 Da. Based on this information, it was decided to perform the HPLC method at neutral pH for the determination of the Pow. Solutions of reference substances and the test substance were analysed. The capacity factor (k') of each compound was calculated from its retention time. The log k' values of the references substances were plotted against the known log Pow values. A linear regression program was used to calculate the calibration curve. Linear regression analysis was performed using the least squares method. The coefficient of correlation (r) was calculated. The log Pow value for the test substance was calculated by substituting its mean log k' in the calibration curve. The value of log Pow obtained from duplicate measurements was within +/- 0.1 log units. Under the study conditons, the partition coefficient (Pow) of the test substance was determined to be 9.2E02 and the logPow was 3.0, at neutral pH (Oudhoff, 2012).

Description of key information

The partition coefficient was determined according to OECD Guideline 117 and EU Method A.8 (HPLC method) (Oudhoff, 2012).

Key value for chemical safety assessment

Log Kow (Log Pow):
3
at the temperature of:
20 °C

Additional information

(for major components)