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EC number: 947-528-6 | CAS number: -
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Calculation by WSKOW v1.42
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: WSKOW v1.42
- Title:
- Unnamed
- Year:
- 2 012
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- (Q)SAR
- GLP compliance:
- no
- Type of method:
- other: QSAR
Test material
- Reference substance name:
- 1,1,3,3-Tetraoctyl-1-3-bis((2,2,3,5-oxotetramethylhexyl)oxy)distannoxane, dimer
- EC Number:
- 947-528-6
- Molecular formula:
- C104O10H212Sn4
- IUPAC Name:
- 1,1,3,3-Tetraoctyl-1-3-bis((2,2,3,5-oxotetramethylhexyl)oxy)distannoxane, dimer
- Test material form:
- liquid
Constituent 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- ca. 2.492 other: 10^{-15} mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 24 h
- Temp.:
- 25 °C
- pH:
- ca. 7
- Remarks on result:
- other: QSAR
Any other information on results incl. tables
Water Sol: 2.492e-015 mg/L
SMILES : CCCCCCCC[Sn]12(CCCCCCCC)OC(=O[Sn](CCCCCCCC)(CCCCCCCC)(O=C(O1)C(C)(CC)
CCC(C)C)=O2)C(C)(CC)CCC(C)C
CHEM :
MOL FOR: C52 H106 O5 Sn2
MOL WT : 1048.84
---------------------------------- WSKOW v1.42 Results ------------------------
Log Kow (estimated) : 16.14
Log Kow (experimental): not available from database
Log Kow used by Water solubility estimates: 16.14
Equation Used to Make Water Sol estimate:
Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction
(used when Melting Point NOT available)
Correction(s): Value
-------------------- -----
No Applicable Correction Factors
Log Water Solubility (in moles/L) : -20.624
Water Solubility at 25 deg C (mg/L): 2.492e-015
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): insoluble (< 0.1 mg/L)
Water Solubility at 25 deg C (mg/L): 2.492e-015
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