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Henry's Law constant

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Reference
Endpoint:
Henry's law constant
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model. Calculation for Hexadecanamide, N-9-octadecenyl-, (Z)-, however the substance is outside of the domain of the training set (MW of the training set: 26-451; MW of the component: 505.92).
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:
14.3 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

Volatilization from the aqueous phase is not expected for the substance.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
14.3
at the temperature of:
25 °C

Additional information

Experimental data on Henry`s law constants are not available. The Henry's Law constant of the substance was estimated using the program EpiSuite (HENRYWIN v3.20). Calculation with the bond estimation method yielded a value of 14.3 Pa*m3/mol for the constant (Knoell Consult GmbH, 2012). However, the calculated data may not be a realistic reflection of the constants, since the substance is outside of the domain of the training set (MW of the training set: 26-451; MW of the component: 505.92) and not all properties are taken into account by the model.

Due to the very low water solubility and low vapour pressure of 0.000083 Pa at 20 °C, volatilization from the aqueous phase is not expected for the substance.