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Vapour pressure

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Reference
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]

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.

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.

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