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Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Justification for type of information:
Data from experimental study report
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
Measurement of capacity of a compound to dissociate into respective ions.
GLP compliance:
no
Specific details on test material used for the study:
- Name of test material (as cited in study report): 2,2,2-trichloro-1-phenylethyl acetate
- Molecular formula: C10-H9-Cl3-O2
- Molecular weight: 267.538g/mol
- Smiles notation: c1([C@@H](OC(C)=O)C(Cl)(Cl)Cl)ccccc1
- InChl: 1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3
- Substance type: Organic
- Physical state: solid
Dissociating properties:
yes
No.:
#1
pKa:
0
Temp.:
25 °C
Remarks on result:
other: no details available
Conclusions:
The dissociation constant (pKa) value for 2,2,2-trichloro-1-phenylethyl acetate in aqueous solution is found to be 0.00027 at 25 degree C.
Executive summary:

The experimental dissociation constant (pKa) value for 2,2,2-trichloro-1-phenylethyl acetate is found to be 0.00027 at 25 degC indicating that it has dissociation properties.

Description of key information

The dissociation constant (pKa) value for 2,2,2-trichloro-1-phenylethyl acetate in aqueous solution is found to be 0.00027 at 25 deg C.

Key value for chemical safety assessment

pKa at 20°C:
0.003

Additional information

The experimental dissociation constant (pKa) value for 2,2,2-trichloro-1-phenylethyl acetate is found to be 0.00027 at 25 degC indicating that it has dissociation properties.