Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other:
Title:
No information
Year:
2014
Bibliographic source:
ChemSpider data base

Materials and methods

Principles of method if other than guideline:
The predicted logPow by ACD/Labs’ ACD/PhysChem Suite is 2.468.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
(1-benzylindazol-3-yl)methanol
EC Number:
603-485-2
Cas Number:
131427-21-9
Molecular formula:
C15H14N2O
IUPAC Name:
(1-benzylindazol-3-yl)methanol

Results and discussion

Boiling point
Boiling pt.:
450.624 °C
Atm. press.:
760 mm Hg

Applicant's summary and conclusion

Conclusions:
The predicted boiling point by ACD/Labs’ ACD/PhysChem Suite is 450.624 °C at 760 mmHg.