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Physical & Chemical properties

Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated by using SPARC (October 2011 release w4.6.1691-s4.6.1687 )
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculated by using SPARC (October 2011 release w4.6.1691-s4.6.1687 )
GLP compliance:
no
Remarks:
not applicable for QSAR
Dissociating properties:
no
No.:
#1
pKa:
19.31
Temp.:
20 °C
Remarks on result:
other: according to SPARC
Conclusions:
A calculation method was used to estimate the pKa of this substance, the calculated pKa was found to be 19.31.
The molecule is not ionized under physcal and environmental conditions. This is a non-ionic surfactant.

Description of key information

pKa is calculated to be 19.31

Key value for chemical safety assessment

pKa at 20°C:
19.31

Additional information