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Diss Factsheets

Administrative data

Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
24 January 2006
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The vapour pressure was estimated using a well-established QSAR method.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2006

Materials and methods

Principles of method if other than guideline:
The result was obtained by a well-established QSAR estimation method.

Test material

Constituent 1
Chemical structure
Reference substance name:
-
EC Number:
480-420-2
EC Name:
-
Cas Number:
144702-27-2
Molecular formula:
C33 H29 N5
IUPAC Name:
4'-{[4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazol-1-yl]methyl}-[1,1'-biphenyl]-2-carbonitrile
Details on test material:
SMILES input: C(#N)c1c(c2ccc(Cn3c4c(C)c(c5nc6c(cccc6)n5C)ccc4nc3CCC)cc2)cccc1 or N#Cc1ccccc1c2ccc(cc2)Cn3c4cc(cc(c4nc3CCC)C)c5nc6ccccc6n5C


Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
< 0 Pa

Any other information on results incl. tables

The vapour pressure of the test substance at 25°C was estimated to be 1.43E-18 mmHg corresponding 1.91E-16 Pa (using the Modified Grain method). As the available experimental methods allow a determination of vapour pressures down to 10E-5 Pa only, no meaningful experimental determination of the vapour pressure of the test substance is possible. Therefore, in accordance to the respective EC guideline no experimental determination of the vapour pressure for the test substance is required.

Applicant's summary and conclusion

Conclusions:
A vapour pressure range was estimated to be < 10E-05 Pa by a well-established QSAR method.