Registration Dossier

Administrative data

Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Model considered reliable by OECD
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
review article or handbook
Title:
Users's guide for EPIWIN, version 3.05
Author:
Meylan W
Year:
2000
Bibliographic source:
Syracuse Corporation, North Syracuse, NY

Materials and methods

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Any other information on results incl. tables

Henry's law constant (25°C) calculated with HENRYWIN v.3.10.

Bond method: 9.91e-8 atm.m3/mol = 0.0101 Pa.m3/mol (4.05e-6 unitless)

Group method: 1.44e-9 atm.m3/mol = 0.000146 Pa.m3/mol (5.89e-8 unitless)

Average=0.005Pa.m3/mol, which is also very close to the value derived from the figures for water solubility and vapour pressure cited in chapter 4.

Applicant's summary and conclusion

Executive summary:

There is no experimentally derived value for the Henry's constant available. Calculated values vary by almost two orders of magnitude between 0.0001 and 0.01Pa.m3/mol. A figure of 0.004Pa.m3/mol can be derived from the figures cited for vapour pressure and water solubility in this dossier. Overall, a value of 0.005Pa.m3/mol is used.