Registration Dossier
Registration Dossier
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EC number: 222-394-5 | CAS number: 3458-72-8
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- 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, but not (completely) 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)
MPBPWIN v1.43 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES: O=C(CC(CC(=O)ON(H)(H)(H)H)(O)C(=O)ON(H)(H)(H)H)ON(H)(H)(H)H
CAS: 3458-72-8
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to the 'Attachted justification' section for more detailed information
5. APPLICABILITY DOMAIN
Please refer to the 'Attachted justification' section for more detailed information
6. ADEQUACY OF THE RESULT
Please refer to the 'Attachted 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: MPBPWIN v1.43 (September 2010)
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: ee field 'Attached justification' - GLP compliance:
- no
- Type of method:
- other: QSAR prediction
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- Based on a QSAR prediction performed with Estimation Programs Interface Suite™ for Microsoft® Windows v4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA, MPBPWIN v1.43 (September 2010), the vapour pressure of the test item is 1.29E-019 Pa at 25°C.
- Executive summary:
Based on a QSAR prediction performed with Estimation Programs Interface Suite™ for Microsoft® Windows v4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA, MPBPWIN v1.43 (September 2010), the vapour pressure of the test item is 1.29E-019 Pa at 25°C.
Reference
Description of key information
Based on a QSAR prediction performed with Estimation Programs Interface Suite™ for Microsoft® Windows v4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA, MPBPWIN v1.43 (September 2010), the vapour pressure of the test item is 1.29E-019 Pa at 25°C.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
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