Registration Dossier
Registration Dossier
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EC number: 287-625-4 | CAS number: 85566-16-1
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
Alcohols, C13 -15 -branched and linear will not evaporate into the atmosphere from the water surface.
Key value for chemical safety assessment
Additional information
The Henry's Law Constant for the C13 and C15 linear alcohols is estimated by means of the bond method of HENRYWIN and determined at 13 - 23 Pa·m³/mol, respectively (increasing with increasing chain length). As the number of C-H and C-C bonds are exceeded for the QSAR, the prediction is considered slightly less reliable but still adequate for risk assessment. The HENRYWIN bond method does not consider branching and therefore the predicted values for the linear and the branched C13 and C15 alcohols are identical (QSARs for branched alcohols are not included in the dossier).
In the OECD SIDS (2006) HLC values for C6 - C22 linear alcohols are estimated from vapour pressure and water solubility and range from ca. 0.7 - 80 Pa·m³/mol (increasing with increasing chain length).
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 substance (Q)SAR results were used for 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.
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