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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
data is from modelling databases
Qualifier:
equivalent or similar to guideline
Guideline:
other: estimated data
Principles of method if other than guideline:
octanol water partition coefficient of the Sulphoacetic acid (CAS no. 123-43-3) was estimated.
GLP compliance:
not specified
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name( IUPAC): 2-sulfoacetic acid
- Name of test material (as cited in study report): 2-sulfoacetic acid
-Molecular formula: C2H4O5S
-Molecular weight: 140.115g/mol
-Smilies notation: S(CC(O)=O)(O)(=O)=O
-InChI: 1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)
- Substance type: Organic
Key result
Type:
log Pow
Partition coefficient:
-0.88
Temp.:
25 °C
Remarks on result:
other: details are not available
Conclusions:
The estimated Octanol water partition coefficient (log POW) of the Sulphoacetic acid (CAS no. 123-43-3) was -0.88
Executive summary:

Octanol water partition coefficient of the Sulphoacetic acid (CAS no. 123 -43 -3) was estimated. The estimated log Pow is -0.88 . On the basis of estimated value, the Sulphoacetic acid (CAS no. 123 -43 -3) can be considered as hydrophillic in nature.

Description of key information

Octanol water partition coefficient of the Sulphoacetic acid (CAS no. 123 -43 -3) was estimated. The estimated log Pow is -0.88 . On the basis of estimated value, the Sulphoacetic acid (CAS no. 123 -43 -3) can be considered as hydrophillic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.88
at the temperature of:
25 °C

Additional information

Octanol water partition coefficient of the Sulphoacetic acid (CAS no. 123 -43 -3) was estimated. The estimated log Pow is -0.88 . On the basis of estimated value, the Sulphoacetic acid (CAS no. 123 -43 -3) can be considered as hydrophillic in nature.