Registration Dossier
Registration Dossier
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EC number: 203-981-5 | CAS number: 112-52-7
Adsorption / desorption
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:
- 2 016
- Report date:
- 2016
- Title:
- EPI Suite version 4.10
- Year:
- 2 010
- 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
- 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
Constituent 1
- 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. .
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