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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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:
2012

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

Constituent 1
Chemical structure
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

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