Registration Dossier
Registration Dossier
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EC number: 202-044-8 | CAS number: 91-15-6
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
- Henry's law constant (H) (in Pa m³/mol):
- 0.051
- at the temperature of:
- 20 °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.
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 phthalonitrile (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 by use of HENRYWIN v3.20, which is part of the EpiSuite v4.11 model calculation tool. For phthalonitrile the Henrys Law Constant was calculated to be 0.051 Pa m3/mole at 25°C (BASF SE, 2021). The substance is not completely within the applicability domain, since the number of instances of Car-CN bond is exceeded by one instance. All other bond contribution values are not exceeding the maximum number of instances of each bond.
Overall the low HLC indicates that the substance will not evaporate from the water surface into the atmosphere.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
