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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:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
QSAR prediction
Qualifier:
no guideline followed
Principles of method if other than guideline:
QSAR predictions were conducted using HenryWin v3.20 (2008) according to two different methods: an estimation based on the bond contribution methodology and an estimation based on the group contribution methodology.
H:
0 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: Bond estimation method. Standard atmospheric pressure is anticipated.

A calculation based on the group estimation method could not be made as not for all groups a contribution value is available from the database.

Conclusions:
Using HenryWin v3.20, the Henry's Law Constant of the substance was estimated to be 2.03E-9 Pa m³/mol based on the bond estimation method. A calculation based on the group estimation method could not be made as not for all groups a contribution value is available from the database. The estimated value indicates that the substance will be predominantly in the water phase.
Executive summary:

Using HenryWin v3.20, the Henry's Law Constant of the substance was estimated to be 2.03E-9 Pa m³/mol based on the bond estimation method. A calculation based on the group estimation method could not be made as not for all groups a contribution value is available from the database. The estimated value indicates that the substance will be predominantly in the water phase.

Description of key information

The Henry's Law Constant of the substance was calculated to be 2.03E-9 Pa m³/mol following the bond estimation method (HenryWin, US EPA, 2011).

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0
at the temperature of:
25 °C

Additional information

The Henry's Law Constant (HLC) is calculated following the bond estimation method to be very low indicating that the substance will predominantly be in the water phase. A calculation based on the group estimation method could not be made as not for all groups a contribution value is available from the database.