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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
March from 21 to 22, 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
adopted 13 April 2004
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
7.57
Temp.:
25 °C
Remarks on result:
other: extrapolated
Details on results:
The retention times of the test item resulted to be higher than the last eluting standard, therefore an accurate value of log Pow could not be given.
The log Pow was estimated to be higher than 6.5 and the extrapolated log Pow value was calculated as 7.57.

Measured and calculated data of test item

Test Item Retention time (min) log k log Pow Pow Repeatability log unit
Calculated
31.18 1.281 7.58 3.79E+07 0.014
31.17 1.281 7.58 3.79E+07
31.00 1.279 7.57 3.70E+07
30.98 1.278 7.57 3.69E+07
30.97 1.278 7.57 3.68E+07
30.95 1.278 7.57 3.67E+07
Mean 31.04 1.279 7.57 3.72E+07 -

Measured and calculated data of reference items

Chemical name

log PowOECD 117 Retention time (min) log k Calculated Repeatability Δlog Pow log unit Accuracy log unit log Powcalculated
Thiourea - 1.55
1.55
1.55
1.55
1.55
1.55
Mean 1.55
CV% 0
Methyl Benzoate 2.1 2.89 -0.063 0.01 0.1 2.2
2.89 -0.063 2.2
2.9 -0.060 2.2
2.9 -0.060 2.2
2.89 -0.063 2.2
2.89 -0.063 2.2
Mean 2.89 -0.062 2.2
CV% 0.18 - -
Benzophenone 3.2 3.78 0.158 0.01 0.12 3.1
3.78 0.158 3.1
3.79 0.16 3.1
3.79 0.16 3.1
3.78 0.158 3.1
3.78 0.158 3.1
Mean 3.78 0.159 3.1
CV% 0.14 - -
Diphenylamine 3.4 4.03 0.204 0.01 0.14 3.3
4.03 0.204 3.3
4.03 0.204 3.3
4.03 0.204 3.3
4.02 0.202 3.3
4.02 0.202 3.3
Mean 4.03 0.204 3.3
CV% 0.13 - -
Naphthalene 3.6 4.53 0.284 0.01 0.02 3.6
4.53 0.284 3.6
4.53 0.284 3.6
4.53 0.284 3.6
4.52 0.282 3.6
4.52 0.282 3.6
Mean 4.53 0.283 3.6
CV% 0.11 - -
Phenanthrene 4.5 7.09 0.553 0.01 0.16 4.7
7.09 0.553 4.7
7.09 0.553 4.7
7.08 0.552 4.7
7.07 0.552 4.7
7.07 0.552 4.7
Mean 7.08 0.553 4.7
CV% 0.14 - -
Triphenylamine 5.7 12.66 0.855 0.01 0.17 5.9
12.66 0.855 5.9
12.64 0.855 5.9
12.64 0.855 5.9
12.62 0.854 5.9
12.62 0.854 5.9
Mean 12.64 0.855 5.9
CV% 0.14 - -
DDT 6.5 16.22 0.976 0.01 0.15 6.4
16.22 0.976 6.4
16.18 0.975 6.4
16.18 0.975 6.4
16.17 0.975 6.3
16.17 0.975 6.3
Mean 16.19 0.975 6.4
CV% 0.15 - -
Conclusions:
log Pow: 7.57 at 25 °C (extrapolated)
Executive summary:

The partition coefficient of the substance was determined using high performance liquid chromatography, according to the OECD guideline 117.

The retention times of the test item resulted to be higher than the last eluting standard, therefore an accurate value of log Pow could not be given.

The log Pow was estimated to be higher than 6.5 and the extrapolated log Pow value was calculated as 7.57.

Conclusion

log Pow: 7.57 at 25 °C (extrapolated)

Description of key information

log Pow: 7.57 at 25 °C (extrapolated)

Key value for chemical safety assessment

Log Kow (Log Pow):
7.57
at the temperature of:
25 °C

Additional information

OECD 117 - HPLC method

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