1H-Isoindole-1,3(2H)-dione, 2-[(6,11-dihydro-5H-dibenz[b,e]azepin-6-yl)methyl]-

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

other information

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 limited documentation / justification

Justification for type of information:

Documentation about the justification is provided in attachment (See Supporting information). The reliability assessment of the prediction is presented in the attached document as well (QPRF)

Data source

Reference

Reference Type:

other: QSAR model

Title:

TEST

Bibliographic source:

Vapor pressure at 25°C - US EPA. EPI Suite, Version 4.0. http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (accessed 5/21/09)

Materials and methods

Test guideline

Qualifier:

equivalent or similar to guideline

Guideline:

other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.

Test material

Test material information

Details on test material:

The SMILES included in the reference substance linked in Section 1 (General information) was used as model input.

Specific details on test material used for the study:

C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN4C(=O)C5=CC=CC=C5C4=O

Results and discussion

Vapour pressure

Temp.:

ca. 25 °C

Vapour pressure:

ca. 0 mm Hg

Remarks on result:

other: Predicted from Hierarchical clustering method

Any other information on results incl. tables

The prediction was deemed to be reliable with restrictions on the basis of the parameters listed above. The molecule might fall into the applicability domain of the model.

Applicant's summary and conclusion

Conclusions:

The vapour pressure of the substance was predicted to be 1.23 e-10 mmHg; however, the reliability of that prediction shows strong restrictions.