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Environmental fate & pathways

Adsorption / desorption

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Administrative data

Endpoint:
adsorption / desorption: screening
Remarks:
other: Calculated using PCKOCWIN v.1.66
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2007
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Acceptable, well-documented publication/study report which meets basic scientific principles
Cross-referenceopen allclose all
Reason / purpose for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to other study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2007

Materials and methods

Principles of method if other than guideline:
Calculation with PCKOCWIN v1.66
GLP compliance:
no
Type of method:
other: Calculation
Media:
other: Calculation

Test material

Constituent 1
Reference substance name:
n-Butanal
IUPAC Name:
n-Butanal
Constituent 2
Reference substance name:
000123-72-8
Cas Number:
000123-72-8
IUPAC Name:
000123-72-8
Details on test material:
Not relevant
Specific details on test material used for the study:
Details on properties of test surrogate or analogue material (migrated information):
Not relevant
Radiolabelling:
no

Study design

Test temperature:
Not relevant

HPLC method

Details on study design: HPLC method:
Not relevant

Batch equilibrium or other method

Analytical monitoring:
not required
Details on sampling:
Not relevant
Details on matrix:
Not relevant
Details on test conditions:
Not relevant
Computational methods:
Calculation with PCKOCWIN v1.66

Results and discussion

Adsorption coefficient
Type:
Koc
Value:
5.1

Results: HPLC method

Details on results (HPLC method):
Not relevant

Results: Batch equilibrium or other method

Adsorption and desorption constants:
Not relevant
Recovery of test material:
Not relevant
Concentration of test substance at end of adsorption equilibration period:
Not relevant
Concentration of test substance at end of desorption equilibration period:
Not relevant
Details on results (Batch equilibrium method):
Not relevant
Statistics:
Not relevant

Any other information on results incl. tables

Koc (estimated): 5.1

First Order Molecular Connectivity Index  ........... :  2.414
Non-Corrected Log Koc
  .............................. :  1.9072
Fragment Correction(s)
:

1   Misc (C=O) Group (aliphatic attach)....  : -1.2000

Corrected Log Koc  .................................. :  0.7072

Estimated Koc:  5.096    

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
Estimated Koc:  5.096    
Executive summary:

Estimated Koc: 5.096