Registration Dossier

Diss Factsheets

Environmental fate & pathways

Henry's Law constant

Currently viewing:

Administrative data

Link to relevant study record(s)

Description of key information

From the water surface, the substance will not evaporate into the atmosphere.

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0
at the temperature of:
25 °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 reaction mass of N1,N3-bis(3-aminopropyl)-2-methyl-cyclohexane-1,3-diamine and N1,N3-bis(3-aminopropyl)-4-methyl-cyclohexane-1,3-diamine (DAP-MCDA)

(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 was calculated for N1,N3-bis(3-aminopropyl)-4-methyl-cyclohexane-1,3-diamine (BI 858010) and N1,N3-bis(3-aminopropyl)-2-methyl-cyclohexane-1,3-diamine (BI 858015) which are representative constituents of the reaction mass of N1,N3-bis(3-aminopropyl)-2-methyl-cyclohexane-1,3-diamine and N1,N3-bis(3-aminopropyl)-4-methyl-cyclohexane-1,3-diamine (DAP-MCDA).

No experimental data are available, therefore the Henry's Law constant (HLC) was calculated by using the bond estimation method of HENRYWIN v3.20 (EPISuite v 4.11; BASF SE 2019) to be 3.0E-11 Pa*m³/mol for both constituents.These estimations refer to the uncharged molecule. The substances are not within the applicability domain of the model due to the number of occurrences of bonds in the molecule compared to the training data set.

However, based on the calculated data DAP-MCDA is not expected to evaporate into the atmosphere from the water surface.

Categories Display