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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:
other: Validated QSAR model
Justification for type of information:
QSAR prediction
Principles of method if other than guideline:
Calculation based on HENRYWIN v3.20, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
H:
25.6 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: Bond estimation

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

Description of key information

HLC: 25.6 Pa*m3/mol at 25 °C (bond estimation, HENRYWIN v3.20)

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
25.6
at the temperature of:
25 °C

Additional information

No studies investigating the Henry’s Law constant of 2-ethylhexyl benzoate are available. Using the estimation program HENRYWIN v3.20, values of 23.7 (group estimation) and 25.6 (bond estimation) were calculated for the Henry’s Law constant (Blum, 2012).