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EC number: 271-616-7 | CAS number: 68592-12-1
Vapour pressure
Administrative data
Link to relevant study record(s)
- 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 : OC(=O)c1ccccc1C(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
APPLICABILITY DOMAIN
The QPRF is available in "Attached justification".
5. APPLICABILITY DOMAIN
The QPRF is available in “Attached justification - 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
- Specific details on test material used for the study:
- SMILES:OC(=O)c1ccccc1C(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1
- Key result
- Temp.:
- ca. 25 °C
- Vapour pressure:
- ca. 0 Pa
- Remarks on result:
- other: QSAR predicted value.
- Key result
- Temp.:
- ca. 25 °C
- Vapour pressure:
- ca. 0 mm Hg
- Remarks on result:
- other: QSAR predicted value.
- Conclusions:
- The estimated value of vapour pressure is 2.48E-8 Pa (1.86E-10 mmHg) at temperature of 25ºC (Modified Grain method).
- Executive summary:
The estimated value of vapour pressure is 2.48E-8 Pa (1.86E-10 mmHg) at temperature of 25ºC (Modified Grain method).
Reference
MPBPVP v 1.43 predicted that test item has vapour pressure 2.48E-8 Pa (1.86E-10 mmHg) at temperature of 25ºC (Modified Grain method).
Description of key information
Key study: Internationally accepted calculation method EPI-SUITE EPA(USA). The estimated value of vapour pressure is 2.48E-8 Pa (1.86E-10 mmHg) at temperature of 25ºC (Modified Grain method).
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
Key study: Internationally accepted calculation method EPI-SUITE EPA(USA). The estimated value of vapour pressure is 2.48E-8 Pa (1.86E-10 mmHg) at temperature of 25ºC (Modified Grain method).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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