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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
comparable to guideline study
Qualifier:
according to guideline
Guideline:
other: as mentioned below
Principles of method if other than guideline:
The partition Coefficient n-octanol/water of test chemical was determined by Shake Flask Method.
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material : 1-(3-chlorophenyl)-4-(3-chloropropyl) piperazine hydrochloride
- Molecular formula : C13H19Cl3N2
- Molecular weight : 309.66 g/mol
- Smiles notation : ClCCCN1CCN{+}(.Cl{-})(c2cccc(Cl)c2)CC1
- InChl : 1S/C13H18Cl2N2.ClH/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13;/h1,3-4,11H,2,5-10H2;1H
- Substance type : Organic
- Physical state : Solid
Key result
Type:
log Pow
Partition coefficient:
0.301
Temp.:
28 °C
pH:
3.81
Remarks on result:
other: Kow = 2
Details on results:
The Partition coefficient (Pow) of the test chemical was determined to be 0.301 at a temperature of 28°C and pH 3.81, respectively.
Conclusions:
The partition coefficient of test chemical was determined to be 0.301 at a temperature of 28°C and pH 3.81, respectively.
Executive summary:

The partition Coefficient n-octanol/water of test chemical was determined by Shake Flask Method. The study was performed at a temperature of 28°C and pH 3.81, respectively. The log Pow value of test chemical was determined to be 0.301 dimensiomless at a temperature of 28°C and pH 3.81, respectively. On the basis of this value, test chemical is considered to be hydrophilic in nature.

Description of key information

The partition Coefficient n-octanol/water of test chemical was determined by Shake Flask Method. The study was performed at a temperature of 28°C and pH 3.81, respectively. The log Pow value of test chemical was determined to be 0.301 dimensiomless at a temperature of 28°C and pH 3.81, respectively. On the basis of this value, test chemical is considered to be hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.301
at the temperature of:
28 °C

Additional information

The partition Coefficient n-octanol/water of test chemical was determined by Shake Flask Method. The study was performed at a temperature of 28°C and pH 3.81, respectively. The log Pow value of test chemical was determined to be 0.301 dimensiomless at a temperature of 28°C and pH 3.81, respectively. On the basis of this value, test chemical is considered to be hydrophilic in nature.