Registration Dossier
Registration Dossier
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EC number: 604-361-0 | CAS number: 143487-47-2
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study
- Justification for type of information:
- Log Kow (version 1.68 estimate); study technically not feasible
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Log Kow (version 1.68 estimate)
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- other: QSAR
Test material
- Reference substance name:
- cyclopentyl(trimethoxy)silane
- Cas Number:
- 143487-47-2
- Molecular formula:
- C8 H18 O3 Si
- IUPAC Name:
- cyclopentyl(trimethoxy)silane
- Test material form:
- liquid
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 1.11
- Temp.:
- 20 °C
- pH:
- 7
- Details on results:
- Log Kow(version 1.68 estimate): 1.11
SMILES : CO[Si](OC)(C1CCCC1)OC
CHEM :
MOL FOR: C8 H18 O3 Si1
MOL WT : 190.32
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 3 | -CH3 [aliphatic carbon] | 0.5473 | 1.6419
Frag | 4 | -CH2- [aliphatic carbon] | 0.4911 | 1.9644
Frag | 1 | -CH [aliphatic carbon] | 0.3614 | 0.3614
Frag | 3 | -O- [oxygen, aliphatic attach] |-1.2566 | -3.7698
Frag | 1 | -Si- [silicon, aromatic or oxygen attach]| 0.6800 | 0.6800
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
Log Kow = 1.1069
Applicant's summary and conclusion
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