Registration Dossier
Registration Dossier
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EC number: 204-633-5 | CAS number: 123-51-3
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
3-methylbutan-1-ol will slowly evaporate from the water surface into the atmosphere.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 1.34
- at the temperature of:
- 25 °C
Additional information
Henry´s law constant at 25°C was estimated to be 1.34 Pa*m3/mole by SRC HENRYWIN v3.10 [BASF SE 2010].
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 3-methylbutan-1-ol (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.
Assessment
No experimental data are available; therefore, the Henry's Law constant was estimated using the bond estimation method of HENRYWIN v3.20 (EPI Suite v4.11). The HLC was calculated to be 1.34 Pa*m³/mol. It can be concluded that the substance will not evaporate from the water surface to the atmosphere.
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