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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 slowly evaporate into the atmosphere. However, as the chemical is ionized at environmentally relevant pH levels, evaporation of the solved fraction of the substance into the atmosphere is assessed to be neglectable.

Key value for chemical safety assessment

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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 1 -Tridecanamine (CAS 2869 -34 -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 of the Henry's Law Constant:

Tridecylamine, branched and linear (CAS 86089-17-0) is a mixture composed of (predominantly) groups of isomers with chain lengths ranging from C11 to C14 and, to a minor content, of C10 alkylamines. The main fraction are C13 -amines, followed by the C12 - , C11 - and C14 -amines.

GC/MS analysis confirmed the following relative distribution of the detected C10 to C14 alkylamines (BASF AG, 2005; normalized to 100%):

- C10 -amines: 1%

- C11- amines: 12%

- C12 -amines: 16%

- C13 -amines: 68%

- C14 -amines: 3%

 

For the analogue C13 substance 1-Tridecanamine (CAS 2869 -34 -3) a Henry’s Law Constant of 11.15 Pa*m³/mol at 25 °C was experimentally determined by Altschuh et al. (1999) using a thermodynamic method.

 

In addition, the Henry's law constant of 1 -Tridecanamine was estimated to be 23 Pa*m³/mol at 25 °C, using the bond estimation method of HENRYWIN v3.20 implemented in EPISUITE v.4.11. The substance was not within the estimation domain of the model since the maximum number of occurrence of three bonds exceeded by the substance. Therefore, the estimate may be less accurate. However, as the bond estimation method is regarded to be a reliable estimation method, the calculations are used to support the experimental results.The HENRYWIN estimate refers to the uncharged molecule. The estimated HLC value indicates that, from the water surface, the substance will slowly evaporate into the atmosphere.

However, as the chemical is ionized at environmentally relevant pH levels, evaporation of the solved fraction of the substance into the atmosphere is assessed to be neglectable.