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Diss Factsheets

Administrative data

Endpoint:
adsorption / desorption
Remarks:
other: QSAR-method
Type of information:
calculation (if not (Q)SAR)
Remarks:
estimated by calculation
Adequacy of study:
key study
Study period:
2016
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Calculated result with KOCWIN v 2.00 software by using EPIWIN software package (published and provided by US EPA and in cooperation with Syracuse Research Corp., New York, USA)

Data source

Referenceopen allclose all

Reference Type:
other: QSAR method
Title:
Unnamed
Year:
2016
Report date:
2016
Title:
EPI Suite version 4.10
Author:
US EPA
Year:
2010
Bibliographic source:
KOCWIN v.2.00 (Lyman, 1990; Meylan et al., 1992; Sabljic, 1984))

Materials and methods

Test guideline
Guideline:
other: (Q)SAR calculation method
Version / remarks:
KOCWIN v.2.00
Principles of method if other than guideline:
Calculated result with KOCWIN v2.00 software by using EPI Suite v.4.10 software package (©US EPA).
GLP compliance:
no
Type of method:
other: QSAR-method
Media:
soil

Test material

Constituent 1
Chemical structure
Reference substance name:
1-chlorododecane
EC Number:
203-981-5
EC Name:
1-chlorododecane
Cas Number:
112-52-7
Molecular formula:
C12H25Cl
IUPAC Name:
1-chlorododecane
Test material form:
not specified
Specific details on test material used for the study:
CAS Number: 112-52-7
SMILES : CLCCCCCCCCCCCC
MOL WT : 204.79

Results and discussion

Adsorption coefficientopen allclose all
Sample No.:
#1
Type:
log Koc
Value:
3.943 dimensionless
Remarks on result:
other: (Q)SAR estimation
Remarks:
KOC estimate from MCI by KOCWIN v2.00
Sample No.:
#2
Type:
Koc
Value:
8 781 L/kg
Remarks on result:
other: (Q)SAR estimation
Remarks:
KOC estimate from MCI
Sample No.:
#3
Type:
log Koc
Value:
5.632 dimensionless
Remarks on result:
other: (Q)SAR estimation
Remarks:
KOC estimation from LogKow
Sample No.:
#4
Type:
Koc
Value:
42 880 L/kg
Remarks on result:
other: (Q)SAR estimation
Remarks:
KOC estimation from LogKow

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
The calculation of the soil adsorption coefficient shows a log Koc 3.9435 based on the Koc estimation from MCI method and a logKoc of 5.6323 based on the estimation from logKow. .