Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 211-989-5
CAS number: 732-26-3
The PALLAS pKa prediction for the test material demonstrates that the compound possesses an acidic group with a pKa of 12.62.
The prediction provided to address this endpoint was awarded a
reliability score of 2 in accordance with the criteria of Klimisch et
The pKa of the test material was estimated using the pKalc function of
the PALLAS estimation software program (CompuDrug, version 188.8.131.52).
The software program pKalc predicts the pKa values of compounds, based
on a calculation which assumes that substituents produce free energy
changes that are to a large extent additive.
At a constant temperature the pKa of a molecule is linearly related to
the free energy change for the reaction of ionisation of a proton.
The insertion of a substituent leads to a corresponding change in free
energy and therefore, a change in pKa. If these changes are small, they
are found to be additive. This observation is the basis of the Hammett
and Taft equations, which are widely used for pKa prediction.
The PALLAS pKa prediction for the test material demonstrates that the
compound possesses an acidic group with a pKa of 12.62.
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.
Ce site web utilise des cookies afin de vous garantir la meilleure expérience possible sur nos sites web.
Welcome to the ECHA website. This site is not fully supported in Internet Explorer 7 (and earlier versions). Please upgrade your Internet Explorer to a newer version.
Do not show this message again