Registration Dossier

Environmental fate & pathways

Henry's Law constant

Currently viewing:

Administrative data

Link to relevant study record(s)

Description of key information

The Henry's Law Constant (HLC)  was calculated using the model HENRYWIN, EPI Suite (US EPA, 2013). The estimated HLC of 0.124 Pa-m3/mole (1.22E-006 atm-m3/mole)  indicates that the DBP is slightly volatile from water. The substance falls within the applicability of the domain therefore the predicted value can be considered as reliable taking into account the statistical information for the Bond method training and validation datasets.
The predicted value was used for PNEC derivation using EPM method and is considered as adequate for the chemical safety assessment (CSA) and no additional information is required

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0.124
at the temperature of:
25 °C

Additional information

HENRYWIN is based on methodology originally described by Hine and Mookerjee but has been updated with additional fragments and correction factors and to allow estimation at different temperatures. HENRYWIN uses three different estimation methods and the Bond contribution method estimate has a larger set of fragments thus can provide estimates for many more structure types. The estimated Henry's Law Constant (HLC) is 0.124 Pa-m3/mole

Currently there is no universally accepted definition of model domain.  However, users may wish to consider the possibility that estimates are less accurate for compounds outside the MW range of the training set compounds, and/or that have more instances of a given bond or correction factor than the maximum for all training set compounds.  Limit for applicability is Molecular Weight (MW): Minimum:  26.04 andMaximum:  451.47.MW of DBP is 278.35.