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Administrative data

Endpoint:
bioaccumulation in aquatic species: fish
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
March 2020
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

Data source

Reference
Reference Type:
other: QSAR
Title:
Unnamed
Year:
2020
Report date:
2020

Materials and methods

Principles of method if other than guideline:
QSAR model
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
liquid: viscous

Results and discussion

Bioaccumulation factor
Type:
BCF
Value:
43.9 L/kg
Remarks on result:
not measured/tested
Remarks:
result from QSAR based on logKow

Any other information on results incl. tables

BCFBAF Program (v3.01) Results:

==============================

SMILES : c1ccc2ccccc2c1CCCCCCCCCCCCCCCCCC

CHEM  :

MOL FOR: C28 H44

MOL WT : 380.66

--------------------------------- BCFBAF v3.01 --------------------------------

Summary Results:

Log BCF (regression-based estimate): 1.64 (BCF = 43.9 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 12.07

 

Equation Used to Make BCF estimate:

Log BCF = -0.49 log Kow + 7.554 + Correction

 

Correction(s):                   Value

No Applicable Correction Factors

 

Estimated Log BCF = 1.642 (BCF = 43.87 L/kg wet-wt)

 

 

Applicant's summary and conclusion

Conclusions:
Based on a QSAR calculation the BCF is 43.9 L/kg ww