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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:
Internationally accepted calculation method EPI-SUITE EPA(USA)
1. SOFTWARE
EPI-SUITE EPA (USA)

2. MODEL (incl. version number)
MPBPVP v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : NC(=S)NN

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The QMRF is available in "Attached justification".

5. APPLICABILITY DOMAIN
The QPRF is available in “Attached justification”.

6. ADEQUACY OF THE RESULT
The QPRF is available in “Attached justification”.

Reference:
Composition 0
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Modified Grain Method: 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.
GLP compliance:
no
Test material information:
Composition 1
Specific details on test material used for the study:
SMILE:NC(=S)NN
Key result
Temp.:
ca. 25 °C
Vapour pressure:
ca. 1.15 Pa
Remarks on result:
other: QSAR predicted value.
Key result
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.009 mm Hg
Remarks on result:
other: QSAR predicted value.

MPBPVP v 1.43 predicted that test item has vapour pressure of 1.15 Pa (0.00865 mm Hg) at the temperature of 25ºC (Modified and Grain method).

Conclusions:
The estimated vapour pressure is 1.15 Pa (0.00865 mm Hg) at the temperature of 25ºC (MPBPVP v 1.43 Modified and Grain method).
Executive summary:

The estimated vapour pressure is 1.15 Pa (0.00865 mm Hg) at the temperature of 25ºC (MPBPVP v 1.43 Modified and Grain method).

Description of key information

Key study: Internationally accepted calculation method EPI-SUITE EPA(USA).The estimated vapour pressure is 1.15 Pa (0.00865 mm Hg) at the temperature of 25ºC (EPISUITE-Modified and Grain method).

Key value for chemical safety assessment

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

Additional information

Key study: Internationally accepted calculation method EPI-SUITE EPA(USA).The estimated vapour pressure is 1.15 Pa (0.00865 mm Hg) at the temperature of 25ºC (EPISUITE-Modified and Grain method).