Registration Dossier
Registration Dossier
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EC number: 944-207-2 | CAS number: 2156592-65-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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
- 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.
Reference
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).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
