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Diss Factsheets

Physical & Chemical properties

Vapour pressure

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Link to relevant study record(s)

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)
MPBPVP v1.43

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : OC(=O)c1ccc(cc1O)C(F)(F)F

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”.
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
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.
Lyman, W.J., Reehl, W.F. and Rosenblatt, D.H. 1990. Handbook of Chemical Property Estimation Methods. Washington, DC: American Chemical Society, Chapter 14
GLP compliance:
no
Remarks:
Not applicable to QSAR models
Type of method:
other: QSAR
Specific details on test material used for the study:
SMILES : OC(=O)c1ccc(cc1O)C(F)(F)F
Key result
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0 mm Hg
Remarks on result:
other: QSAR predicted value
Key result
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.013 Pa
Remarks on result:
other: QSAR predicted value
Key result
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.001 mm Hg
Remarks on result:
other: QSAR predicted value
Remarks:
Subcooled liguid VP
Key result
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.076 Pa
Remarks on result:
other: QSAR predicted value
Remarks:
Subcooled liquid VP

MPBPVP v 1.43 predicted that test item has vapour pressure: 0.0133 Pa (9.97E-5 mmHg) at 25ºC and the value of subcooled Vapour pressure of the test item at temperature 25ºC is 0.0762 Pa (0.000571 mmHg) ( Modified Grain method)

Conclusions:
The estimated value of vapour pressure is 0.0133 Pa (9.97E-5 mmHg) at 25ºC and the value of subcooled liquid Vapour pressure of the test item at temperature 25ºC is 0.0762 Pa (0.000571 mmHg) ( Modified Grain method)
Executive summary:

The estimated value of vapour pressure is 0.0133 Pa (9.97E-5 mmHg) at 25ºC and the value of subcooled liquid Vapour pressure of the test item at temperature 25ºC is 0.0762 Pa (0.000571 mmHg) ( Modified Grain method)

Description of key information

Key study: Internationally accepted calculation method EPI-SUITE EPA(USA). The estimated value of vapour pressure is 0.0133 Pa (9.97E-5 mmHg) at 25ºC and the value of subcooled liquid Vapour pressure of the test item at temperature 25ºC is 0.0762 Pa (0.000571 mmHg) ( Modified Grain method)

Key value for chemical safety assessment

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

Additional information