Registration Dossier
Registration Dossier
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EC number: 201-796-4 | CAS number: 88-09-5
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- April 2018
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- PCKOCWIN v1.66 (or KOCWIN) is a model in Epi Suite™ that uses a traditional method based on Log Kow and the Sabljic molecular connectivity method to predict the soil adsorption coefficient (Koc) of organic substances in soil and sediment.
- GLP compliance:
- no
- Key result
- Type:
- Koc
- Value:
- 7.074 dimensionless
- Key result
- Type:
- log Koc
- Value:
- 0.85 dimensionless
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The soil adsorption coefficient of 2-ethylbutyric acid was predicted to be Koc = 7.074 (Log Koc = 0.850) by KOCWIN v1.66 in Epi Suite™.
Reference
Description of key information
A Koc of 7.074 (Log Koc = 0.850) was predicted for the soil adsorption coefficient of 2-ethylbutyric acid by KOCWIN v1.66 (Epi Suite™).
Key value for chemical safety assessment
- Koc at 20 °C:
- 7.074
Additional information
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