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Environmental fate & pathways

Henry's Law constant

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Description of key information

From the water surface, the substance will very slowly evaporate into the atmosphere.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
3.97
at the temperature of:
20 °C

Additional information

QSAR-disclaimer

In Article 13 of Regulation (EC) No 1907/2006, it is laid down that information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI (of the same Regulation) are met.

According to Annex XI of Regulation (EC) No 1907/2006 (Q)SAR results can be used if (1) the scientific validity of the (Q)SAR model has been established, (2) the substance falls within the applicability domain of the (Q)SAR model, (3) the results are adequate for the purpose of classification and labeling and/or risk assessment and (4) adequate and reliable documentation of the applied method is provided.

For the assessment of the substance (Q)SAR results were used for the estimation of the Henry’s Law constant. The criteria listed in Annex XI of Regulation (EC) No 1907/2006 are considered to be adequately fulfilled and therefore the endpoint(s) sufficiently covered and suitable for risk assessment.

 

Therefore, further experimental studies on the Henry’s Law Constant are not provided.

Assessment

The Henry's law constant at 25 °C was estimated for the uncharged molecule to be 0.00046 Pa*m³/mol using SRC HENRYWIN v3.20 (BASF, 2015). The substance was not within the estimation domain of the model, as the maximum number of occurrence of two bonds was exceeded. Therefore, this model result is disregarded as a reliable HLC is available.

However, as reliable measured data are available for vapour pressure and water solubility, the Henry's Law constant is calculated based on vapour pressure (VP = 0.0023 hPa at 20 °C, see IUCLID Ch. 4.6) and water solubility (WSol = 0.014 g/L at 20 °C, see IUCLID Ch. 4.8). The resulting HLC for the uncharged molecule is 3.97 Pa*m³/mol (BASF, 2015). The parameter of the substance are within the limits of the method's applicability domain. Therefore, this HLC value will be used as key value. The available data indicate that the dissolved substance will slowly evaporate into the atmosphere.