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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 not evaporate into the atmosphere.

Key value for chemical safety assessment

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. Furthermore according to Article 25 of the same Regulation testing on vertebrate animals shall be undertaken only as a last resort.

 

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 N,N-bis(3-aminopropyl)methylamine (CAS 105-83-9) (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 (HLC) was calculated for the uncharged molecule according to the bond estimation method of HENRYWIN v3.20 (EPI Suite v4.11) to be 1.22E-07 Pa*m³/mol (BASF SE , 2013). The substance is not within the applicability domain of the model as one fragment exceeded slightly the maximum number of occurence in the training set. Therefore, the estimate may be less accurate. As no other reliable data are available this value was used in the assessment of the environmental properties. The determination of the HLC based on measured data for water solubility and vapor pressure is not acceptable as the method is not suitable for substances which are miscible with water.

At environmental conditions the molecule is expected to be ionised, therefore a pH-corrected HLC was calculated according to the REACH Guidance document (2008). The resulting Henry's Law constant was 2.22E-11 at pH 7 (BASF, 2013).

Based on the presented data, the substance will not evaporate from the water surface into the atmosphere.