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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:
other: estimated data
Principles of method if other than guideline:
To Estimate octanol water partition coefficient of chemical dialuminium tris[4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalenesulphonate]
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 of test material (as cited in study report): Dialuminium tris[4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalenesulphonate]
- Molecular formula (if other than submission substance): C20H14N2O7S22/3Al
- Molecular weight (if other than submission substance): 1423.3254 g/mol
- Smiles notation (if other than submission substance): Oc1c2ccccc2c(S(O)(=O)=O)cc1N=Nc1ccc(S(O)(=O)=O)c2ccccc12
- InChl (if other than submission substance): InChI=1S/3C20H14N2O7S2.2Al/c3*23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h3*1-11,23H,(H,24,25,26)(H,27,28,29);;/q;;;2*+3/p-6
- Substance type: Organic
Key result
Type:
log Pow
Partition coefficient:
2.578
Temp.:
25 °C
Remarks on result:
other: details are not available
Conclusions:
The predicted octanol water partition coefficient of test chemical dialuminium tris[4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalenesulphonate] is 2.5775.
Executive summary:

The estimated octanol water partition coefficient of test chemical dialuminium tris[4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalenesulphonate] ( CAS no. 84041-67-8)  is 2.577 by this value this chemical is considered hydrophilic in nature.

Description of key information

The estimated octanol water partition coefficient of test chemicaldialuminium tris[4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalenesulphonate]( CAS no. 84041-67-8)  is 2.577 by this value this chemical is considered hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.577
at the temperature of:
25 °C

Additional information

The estimated octanol water partition coefficient of test chemicaldialuminium tris[4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalenesulphonate]( CAS no. 84041-67-8)  is 2.577 by this value this chemical is considered hydrophilic in nature.