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Environmental fate & pathways

Henry's Law constant

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Administrative data

Link to relevant study record(s)

Description of key information

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

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
6.52
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 dimethyl(propyl)amine (CAS 926-63-6) (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


No experimental data are available for the Henry´s Law Constant (HLC) of dimethyl(propyl)amine (CAS 926-63-6). Therefore, the HLC was calculated by the bond estimation method of HENRYWIN v3.20 (EPI Suite v 4.11) to be 6.52 Pa m³/mol (BASF, 2016). The estimation refers to the uncharged molecule; the substance is within the application domain of the model. Based on the calculated data, the substance is expected to slowly evaporate from the water surface into the atmosphere.


 


In order to support the results for the target substance, the Henry´s Law Constant was also estimated for the three structurally similar substances N,N-dimethylbutylamine (CAS 927-62-8), ethyldimethylamine (CAS 598-56-1) and triethylamine (CAS 121-44-8).


The table below lists the estimated HLC values for all substances. Detailed information on the model’s results and the applicability domain are given in the endpoint study records of IUCLID Chapter 5.4.2. The selected model comply with the OECD principles for (Q)SAR models.


 


Predicted HLC values from applied QSAR model (AD = applicability domain)



































SubstanceModel

HLC



AD



Target substance CAS 926-63-6



HENRYWIN v3.20 (EPISuite v4.11)


6.52 Pa m3/molyes

Source substance


CAS 927-62-8


 



HENRYWIN v3.20 (EPISuite v4.11)


8.7 Pa m3/molyes

Source substance


CAS 598-56-1


 



HENRYWIN v3.20 (EPISuite v4.11)


4.9 Pa m3/molyes

Source substance


CAS 121-44-8


 


 



HENRYWIN v3.20 (EPISuite v4.11)


8.7 Pa m3/molyes

 


Based on the calculated data, the target substance dimethyl(propyl)amine (CAS 926-63-6) and the structurally similar substances N,N-dimethylbutylamine (CAS 927-62-8), ethyldimethylamine (CAS 598-56-1) and triethylamine (CAS 121-44-8) are expected to slowly evaporate from the water surface into the atmosphere.