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EC number: 947-738-8 | CAS number: -
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:
- April 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- 1. SOFTWARE
OECD QSAR Toolbox 4.0
2. MODEL (incl. version number)
KOWWIN Program (v1.68)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCC(C)CC(C)CC(C)CCOCCOCCOCCOCCOCCOCCOP(=O)(O[K])OCCC(C)CC(C)C
CCCC(C)CC(C)CC(C)CCOCCOCCOCCOCCOCCOCCOP(=O)(O[K])OCCOCCOCCOCCOCCOCCOCCC(C)CC(C)CC(C)CC
CCC(C)CC(C)CC(C)CCOCCOCCOCCOCCOCCOCCOP(=O)(O[K])O[K]
CCC(C)CC(C)CC(C)CCOCCOCCOCCOCCOCCOCCOP(O)(=O)O[K]
CC(C)CC(C)CCOP(=O)(O[K])OCCC(C)CC(C)C
CC(C)CC(C)CCOP(=O)(O[K])O[K]
CC(C)CC(C)CCOP(O)(=O)O[K]
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
QSAR Model provided by the OECD
5. APPLICABILITY DOMAIN
EPIWIN modeling
6. ADEQUACY OF THE RESULT
As the substance is UVCB consisting on many various components, one of the components showing most conservative value of vapour pressure was used. - Qualifier:
- no guideline available
- Principles of method if other than guideline:
- EPIWIN model of QSAR calculation (QSAR Toolbox version 4)
- GLP compliance:
- no
- Type of method:
- other: calculation according modified grain method
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: QSAR calcualtion (EPIWIN)
- Remarks:
- CCCC(C)CC(C)CC(C)CCOCCOCCOCCOCCOCCOCCOP(=O)(O[K])OCCC(C)CC(C)C
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: QSAR calculation (EPIWIN)
- Remarks:
- CCCC(C)CC(C)CC(C)CCOCCOCCOCCOCCOCCOCCOP(=O)(O[K])OCCOCCOCCOCCOCCOCCOCCC(C)CC(C)CC(C)CC
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: QSAR calculation (EPIWIN)
- Remarks:
- CCC(C)CC(C)CC(C)CCOCCOCCOCCOCCOCCOCCOP(=O)(O[K])O[K]
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: QSAR calculation (EPIWIN)
- Remarks:
- CCC(C)CC(C)CC(C)CCOCCOCCOCCOCCOCCOCCOP(O)(=O)O[K]
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: QSAR calculation (EPIWIN)
- Remarks:
- CC(C)CC(C)CCOP(=O)(O[K])OCCC(C)CC(C)C
- Temp.:
- 25 °C
- Vapour pressure:
- 0
- Remarks on result:
- other: QSAR calculation (EPIWIN)
- Remarks:
- CC(C)CC(C)CCOP(=O)(O[K])O[K]
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- other: QSAR calculation (EPIWIN)
- Remarks:
- CC(C)CC(C)CCOP(O)(=O)O[K]
- Conclusions:
- According to QSAR calculation using EPIWIN model, the value of vapour pressure amounts 2x10^-6 Pa for the most volatile component of the substance.
Reference
According to QSAR calculation using EPIWIN model, the values of vapour pressure for particular components are withing the range from 2x10-6 Pa to 2x10-8 Pa.
Description of key information
Conservative value based on the most volatile component of the substance.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
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