Registration Dossier
Registration Dossier
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EC number: 209-836-2 | CAS number: 594-36-5
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption, other
- Remarks:
- Calculation
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 02.06.2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
- Principles of method if other than guideline:
- KOCWIN (v2.00) from EpiSuite v4.10 (Copyright 200-2008 US EPA)
- GLP compliance:
- no
- Type of method:
- other: (Q)SAR calculation
- Remarks:
- EpiSuite 4.10 (copyright 2000-2008 US EPA), KOCWIN Program (v2.00)
Test material
- Reference substance name:
- 2-chloro-2-methylbutane
- EC Number:
- 209-836-2
- EC Name:
- 2-chloro-2-methylbutane
- Cas Number:
- 594-36-5
- Molecular formula:
- C5H11Cl
- IUPAC Name:
- 2-chloro-2-methylbutane
Constituent 1
Results and discussion
Adsorption coefficientopen allclose all
- Key result
- Type:
- Koc
- Value:
- 153.7 L/kg
- Remarks on result:
- other:
- Remarks:
- (Q)SAR calculation, KOC estimate from logKow
- Key result
- Type:
- log Koc
- Value:
- 2.187
- Remarks on result:
- other: (Q)SAR calcuation, KOC estimate from logKow
- Type:
- log Koc
- Value:
- 1.935
- Remarks on result:
- other:
- Remarks:
- (Q)SAR calculation, KOC estimated from MCI
- Type:
- Koc
- Value:
- 86.03 L/kg
- Remarks on result:
- other:
- Remarks:
- (Q)SAR calculation, KOC estimated from MCI
Any other information on results incl. tables
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 2.561
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 1.9347
Fragment Correction(s) --> NONE : ---
Corrected Log Koc .................................. : 1.9347
Estimated Koc: 86.03 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (experimental DB) ......................... : 2.52
Non-Corrected Log Koc (0.8679 logKow - 0.0004) ..... : 2.1867
Fragment Correction(s) --> NONE : ---
Corrected Log Koc .................................. : 2.1867
Estimated Koc: 153.7 L/kg <===========
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Depending on the model, the log KOC is 1.9347 based on KOC estimation from MCI or 2.1867 based on KOC estimation from logKow.
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