Registration Dossier

Administrative data

Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Study period:
2013
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: 2f accepted calculation method

Data source

Reference
Reference Type:
other: QSAR
Title:
HENRYWIN PROGRAM Results
Author:
HENRYWIN PROGRAM
Year:
2013
Bibliographic source:
EPIWEB v.4.1

Materials and methods

Principles of method if other than guideline:
HENRYWIN estimates the Henry's Law Constant of organic compounds at 25oC using the methodology originally described by Hine and Mookerjee (1975).  The original methodology was updated and expanded at Syracuse Research Corporation as described in Meylan and Howard (1991).  A subsequent update (HENRYWIN version 2) included additional fragment and correction factors.  
HENRYWIN estimates Henry's Law Constant (HLC) by two separate methods that yield two separate estimates.  The first method is the Bond Contribution Method and the second is the Group Contribution Method. The Bond Method is able to estimate many more types of  structures than the Group Method because it has a more extensive library of bond contribution values.

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Henry's Law constant H
H:
0.531 atm m³/mol
Temp.:
25 °C
Remarks on result:
other: estimated by calculation

Applicant's summary and conclusion

Conclusions:
The Henry constant for bromotrifluoromethane is calculated to be 0.531 atm.m3.mol
Executive summary:

The use of QSAR to predict the Henry constant is an appropriate method and is suitable as a supporting study. The substance falls within the applicability domain of the model. The Henry constant for bromotrifluoromethane is calculated to be 0.531 atm.m3.mol