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EC number: 221-659-2 | CAS number: 3179-63-3
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
From the water surface 3-dimethylaminopropan-1-ol will not evaporate into the atmosphere under environmentally relevant conditions.
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. 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 3 -dimethylaminopropan-1 -ol (CAS 3179 -63 -3) (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 using the bond estimation method of HENRYWIN v3.20 of EPI Suite v4.11. The HLC is estimated to be 2.38E-04 Pa*m³/mol (BASF SE, 2017). This value is representative for the uncharged molecule. This result leads to the assessment that the substance will not evaporate into the atmosphere from the water surface under environmentally relevant conditions.
In addition, as the substance is ionized at environmentally relevant pH levels, evaporation of the dissolved fraction of the substance into the atmosphere is assessed to be negligible.
The estimation based on measured data for water solubility and vapour pressure is not reliable as the method is not applicable for substances with a high water solubility.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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