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EC number: 272-727-3 | CAS number: 68909-99-9
Henry's Law constant
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
Additional information
The Henry’s Law Constant of the mixture N3/N4-amine (CAS# 68909-99-9) was assessed, based on (Q)SAR estimations using HENRYWIN v3.20 (EPISuite v 4.11) for the following four major constituents:
- (CAS# 13531-52-7) 1,3-Propanediamine, N1-(2 -aminoethyl)- (fraction: >25 - <35%, w/w)
- (CAS# 10563-26-5) 1,3-Propanediamine, N,N''-1,2-ethanediylbis- (fraction: >45 - <55%, w/w)
- (CAS# 58214-71-4) 1,3-Propanediamine, N,N''-(iminodi-2,1-ethanediyl)bis- (fraction: 0 - 8%, w/w)
- (CAS# 107-15-3) Ethylenediamine (fraction: 5 - 15 %, w/w)
In addition, estimation data (HENRYWIN v3.20; EPISuite v 4.11) for the structurally similar component 1,2-Ethanediamine, N,N'-bis(2-aminoethyl)- (CAS 112-24-3) are available.
For all substances, the Henry's Law Constant was calculated as 0 Pa*m3/mol at 25°C. These estimations refer to the uncharged molecules.
Based on these calculated data, the mixture N3/N4-amine (CAS# 68909-99-9) is concluded to not evaporate into the atmosphere from the water surface.
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 N3/N4 -amine mix (Q)SAR results of five Read-Across substances 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.
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