Registration Dossier
Registration Dossier
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EC number: 208-753-9 | CAS number: 540-69-2
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2019-09-12
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
Estimation Programs Interface Suite™ for Microsoft® Windows v4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
2. MODEL (incl. version number)
KOWWIN v1.68
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES: O=CON(H)(H)(H)H
CAS: 540-69-2
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the 'Attached justification' section for more detailed information
5. APPLICABILITY DOMAIN
Please refer to the 'Attached justification' section for more detailed information
6. ADEQUACY OF THE RESULT
Please refer to the 'Attached justification' section for more detailed information - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- - Software tool(s) used including version:
Estimation Programs Interface Suite™ for Microsoft® Windows v4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- Model(s) used: KOWWIN v1.68
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - GLP compliance:
- no
- Type of method:
- other: QSAR prediction
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- -3.34
- Temp.:
- 25 °C
- Remarks on result:
- other: QSAR prediction, pH not reported
- Conclusions:
- According to a QSAR estimation using Estimation Programs Interface Suite™ for Microsoft® Windows v4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA., KOWWIN v1.68 the partition coefficient of Ammonium formate is -3.34 at 25°C.
- Executive summary:
The partition coefficient was estimated using Estimation Programs Interface Suite™ for Microsoft® Windows v4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA., KOWWIN v1.68. According to the results of this QSAR prediction the Partition coeeficient of Ammonium formate is -3.34 at 25 °C.
Reference
Description of key information
According to a QSAR estimation using Estimation Programs Interface Suite™ for Microsoft® Windows v4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA., KOWWIN v1.68 the partition coefficient of Ammonium formate is -3.34 at 25°C.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -3.34
- at the temperature of:
- 25 °C
Additional information
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