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Environmental fate & pathways

Henry's Law constant

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Reference
Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Reference:
Composition 0
Principles of method if other than guideline:
Calculation based on HENRYWIN v3.20, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Test material information:
Composition 1
Key result
H:
1.54 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: Bond estimation
H:
2.6 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: Group estimation

For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables". 

Description of key information

Henry's Law constant: 1.54 Pa m³/mole (HenryWin v3.20, Bond estimation method), 2.6 Pa m³/mole (HenryWin v3.20, Group estimation method)

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
1.54
at the temperature of:
25 °C

Additional information

No experimental studies are available determining the Henry’s Law constant (HLC) of the target substance. Therefore, the HLC was estimated using HenryWin v3.20 (EPI Suite v4.11). The bond-estimation method resulted in a HLC of 1.54 Pa m³/mole at 25 °C whereas the group estimation method resulted in a HLC of 2.6 Pa m³/mole at 25 °C. Both values indicate that the substance is of low volatility.