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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The quoted value is an estimate based on an internationally recognised modelling programme.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
according to
Guideline:
other: The octanol:water partition can be calculated with US EPA's computer program EPIWIN v4.11/KOWWIN v1.68.
Principles of method if other than guideline:
The octanol:water partition was calculated using US EPA's computer program EPIWIN v4.11/KOWWIN v1.64.
GLP compliance:
not specified
Remarks:
Not Applicable
Type of method:
other: QSAR Estimated - EPIWIN v4.11/KOWWIN v1.64
Partition coefficient type:
octanol-water
Analytical method:
other: QSAR Estimated
Key result
Type:
log Pow
Partition coefficient:
> 4.76 - < 8.31
Temp.:
25 °C
pH:
ca. 7
Conclusions:
The partition coefficient of the substance ranges from 4.76 to 8.31 at 25°C based on a QSAR driven by the EPI Suite v4.11/KOWWIN v1.64
Executive summary:

The octanol:water partition of benzene mono-C10-13-alkyl derivatives, distillation residues, sulfonated, sodium salts was estimated using the US EPA's computer program EPIWIN software v4.11/KOWWIN v1.68 (ATL, 2016). The estimated octanol:water partition (Log Kow) ranges 4.76 from to 8.31.

Description of key information

The octanol:water partition was calculated using the US EPA's computer program  EPIWIN v4.11/KOWWIN v1.68. 

Key value for chemical safety assessment

Log Kow (Log Pow):
6.412
at the temperature of:
25 °C

Additional information

The octanol:water partition of benzene mono-C10-13-alkyl derivatives, distillation residues, sulfonated, sodium salts was estimated using the US EPA's computer program EPIWIN software v4.11/KOWWIN v1.68 (ATL, 2016). The estimated octanol:water partition (Log Kow) ranges from 4.76 to 8.31 (average = 6.4125).