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Physical & Chemical properties

Vapour pressure

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Reference
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
key study
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
EPISuite v 4.11 (2000)

2. MODEL (incl. version number)
MPBPWIN v 1.40

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=ClC=CC(=O)N1c2CcC(C)c(N3C(=O)C=CC3(=O))c2

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
For detailed informations please refer to the "Attached justification" section

5. APPLICABILITY DOMAIN
For detailed informations please refer to the "Attached justification" section

6. ADEQUACY OF THE RESULT
For detailed informations please refer to the "Attached justification" section
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR method- Software tool(s) used including version: EPISuite v4.11
- Model(s) used: MPBPWIN Program, Version 1.40,
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no
Type of method:
other: QSAR method
Key result
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: 3.00E-10 Pa - MPBPWIN Program, Version 1.40
Conclusions:
The present QSAR prediction was conducted with the EPISuite TM; MPBPWIN v1.43 software. The software uses three separate methods for vapour pressure prediction. However, the molecular weight is the main dose descriptor. The molecular weight of the test item lies within the range of molecular weights obtained from the training sets. Thus, the prediction is considered to be reliable. The vapour pressure of test substance was estimated to be 3.00E-10 Pa at 25°C.

Description of key information

- QSAR prediction, EPISuite / MPBPWIN v1.40 (2000). Vapour pressure was estimated to be 3.00E-10 Pa at 25°C.

Key value for chemical safety assessment

Vapour pressure:
0 Pa
at the temperature of:
25 °C

Additional information

According to a QSAR prediction permormed with EPISuite software and the MPBPWIN model (v 1.4; 2000) the vapour pressure was estimated to be  3.00E-10 Pa at 25°C.

The value of 3.00E-10 Pa is considered to be reliable since the substance lies within the QSAR prediction model validation with an extended data set of chemicals.