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EC number: 281-848-0 | CAS number: 84041-67-8
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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:
- 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.
Reference
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.
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