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Diss Factsheets

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
Epi Suite EPA (USA)

2. MODEL (incl. version number)
EPI Suite v 4.11
MPBPWIN v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
Smiles: CLc1ccc(c(CL)c1C)C(=O)C(=CNC2CC2)C(=O)OCC

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
see QMRF in "attached justification"

5. APPLICABILITY DOMAIN
see QPRF in "attached justification"

6. ADEQUACY OF THE RESULT
see QPRF in "attached justification"
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version: EPI Suite EPA (USA) v4.11 & MPBPVP v1.43
- Model(s) used: Lyman, W.J. 1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2.
- Model(s) used:Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14.
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no
Type of method:
other: calculation
Key result
Temp.:
25 °C
Vapour pressure:
0 Pa
Remarks on result:
other: Modified Grain Method
Key result
Temp.:
25 °C
Vapour pressure:
0 mm Hg
Remarks on result:
other: Modified Grain Method

MPBPVP v1.43 predicted that the test item has a vapour pressure of 0.0000255 Pa at 25ºC.

Conclusions:
The test item has a vapour pressure of 0.0000255 Pa at 25°C
Executive summary:

The vapour pressure of the test item was calculated using EPI SUITE EPA (USA)v4.11 and MPBPVP v1.43 (accepted caclulation method). The test item has a vapour pressure of 0.000255 Pa at 25°C

Description of key information

Key study. QSAR according to REACH guidance on QSARs R.6, non GLP. The test item has a vapour pressure of 0.0000255 Pa at 25°C

Key value for chemical safety assessment

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

Additional information

The vapour pressure of the test item was calculated using EPI SUITE EPA (USA)v4.11 and MPBPVP v1.43 (accepted caclulation method). The test item has a vapour pressure of 0.0000255 Pa at 25°C