Registration Dossier
Registration Dossier
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EC number: 205-489-6 | CAS number: 141-57-1
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:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- See attached QMRF/QPRF
- Principles of method if other than guideline:
- The result was obtained using an appropriate QSAR method (see attached QMRF and QPRF for details).
The model is the publicly available KOWWIN v1.68 program (USEPA 2011). KOWWIN is part of EPI Suite v4.1 and may be downloaded from http://www.epa.gov/oppt/exposure/pubs/episuite.htm. The model is based on fragment values. That is, the chemical structure is broken down into its constituent functional groups, and the contribution of each group toward the overall partition coefficient is calculated. The constants used within KOWWIN have been derived by SRC from a wide range of organic chemicals. The authors of this QMRF have carried out additional validation and found the method to be applicable to organosilicon compounds, excluding di- and tri-alkoxysilanes.
USEPA 2011. KOWWIN v. 1.68, US EPA. 2011. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.10. United States Environmental Protection Agency, Washington, DC, USA. Available at http://www.epa.gov/oppt/exposure/pubs/episuite.htm. - Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- -1.4
- Temp.:
- 20 °C
- pH:
- 7
- Conclusions:
- A partition coefficient value of -1.4 was obtained for propylsilanetriol, using an appropriate calculation method. The result is considered to be reliable.
Reference
Description of key information
log Kow [trichloro(propyl)silane]: Not relevant due to very rapid hydrolysis in contact with water
log Kow [propylsilanetriol]: -1.4 at 20°C (QSAR)
Key value for chemical safety assessment
Additional information
The requirement to conduct an n-octanol/water partition coefficient study for trichloro(propyl)silane is waived because in contact with water, the substance hydrolyses very rapidly to form propylsilanetriol and hydrochloric acid.
The log Kow of the silanol hydrolysis product, propylsilanetriol has been predicted to be -1.4 at 20°C using a validated QSAR estimation method.
Log Kow is not relevant for hydrochloric acid, being an inorganic substance.
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.
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