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EC number: 228-291-1 | CAS number: 6219-71-2
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:
- according to guideline
- Guideline:
- other: refer principle below
- Principles of method if other than guideline:
- To estimate octanol water partition coefficent of test chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no.6219-71-2)
- GLP compliance:
- not specified
- Type of method:
- other: estimated
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material: 2-chlorobenzene-1,4-diammonium sulphate
- IUPAC name: 2-chlorobenzene-1,4-diammonium sulphate
- Molecular formula: C6H7ClN2.xH2O4S
- Molecular weight: 240.6661 g/mole
- Smiles : S(=O)(=O)(O)O.c1(c(ccc(c1)N)N)Cl
- Inchl: 1S/C6H7ClN2.H2O4S/c7-5-3-4(8)1-2-6(5)9;1-5(2,3)4/h1-3H,8-9H2;(H2,1,2,3,4)
- Substance type: Organic
- Physical state: Solid (Light grey powder) - Key result
- Type:
- log Pow
- Partition coefficient:
- -3.63
- Temp.:
- 25 °C
- Remarks on result:
- other: other details not available
- Conclusions:
- The octanol water partition coefficent (log Pow) of chemical 2-chlorobenzene-1,4-diammonium sulphate was estimated to be -3.6295 at temperature 25 oC.
- Executive summary:
The octanol water partition coefficent (log Pow) of chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) was estimated to be -3.6295 at temparature 25oC by using Estimation Program Interface (EPI suite) KOWWIN program V1.68. By this log Pow value chemical 2-chlorobenzene-1,4-diammonium sulphate is considered as hydrophilic in nature.
Reference
Description of key information
The octanol water partition coefficent (log Pow) of chemical 2-chlorobenzene-1,4-diammonium sulphate(CAS no. 6219 -71 -2) was estimated to be -3.6295 at temparature 25oC by using Estimation Program Interface (EPI suite) KOWWIN program V1.68. By this log Pow value chemical2-chlorobenzene-1,4-diammonium sulphateis considered as hydrophilic in nature.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -3.63
- at the temperature of:
- 25 °C
Additional information
The octanol water partition coefficent (log Pow) of chemical2-chlorobenzene-1,4-diammonium sulphate(CAS no. 6219 -71 -2) was estimated to be -3.6295 at temparature 25oC by using Estimation Program Interface (EPI suite) KOWWIN program V1.68. By this log Pow value chemical2-chlorobenzene-1,4-diammonium sulphateis considered as hydrophilic in nature.
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