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Diss Factsheets

Administrative data

Endpoint:
adsorption / desorption
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 ((C) 1994-2011 ACD/Labs)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR-method
Title:
Adsorption/desorption
Author:
ACD labs
Year:
2011
Bibliographic source:
Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 ((C) 1994-2011 ACD/Labs)

Materials and methods

Principles of method if other than guideline:
calculated result with ACD labs software
GLP compliance:
no
Type of method:
other: QSAR-method

Test material

Constituent 1
Chemical structure
Reference substance name:
1-chlorohexane
EC Number:
208-859-5
EC Name:
1-chlorohexane
Cas Number:
544-10-5
Molecular formula:
C6H13Cl
IUPAC Name:
1-chlorohexane

Results and discussion

Adsorption coefficient
Type:
Koc
Value:
2 335.04
Temp.:
25 °C

Any other information on results incl. tables

result calculated with ACD labs software

Applicant's summary and conclusion

Conclusions:
result of adsorption/desorption shows log Koc 2335.04 at 25°C (result calculated with ACD labs software)