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Physical & Chemical properties

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:
according to
Guideline:
other: Refer principle below
Principles of method if other than guideline:
To estimate octanol water partition Coefficient of test chemical 4-chloro-1-methylpiperidinium chloride.
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: 4-chloro-1-methylpiperidinium chloride
- IUPAC name: 4-chloro-1-methylpiperidin-1-ium chloride
- Molecular formula: C6H13Cl2N
- Molecular weight: 170.0817 g/mole
- Smiles : CN1CCC(CC1)Cl.Cl
- Inchl: 1S/C6H12ClN.ClH/c1-8-4-2-6(7)3-5-8;/h6H,2-5H2,1H3;1H
- Substance type: Organic
- Physical state: Solid crystal powder (White - Slightly pale yellow)
Key result
Type:
log Pow
Partition coefficient:
1.58
Temp.:
25 °C
Remarks on result:
other: other details are not available
Conclusions:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-chloro-1-methylpiperidinium chloride. The estimated Log Pow is 1.58. This partition coefficient value indicate that the test substance hydrophilic in nature.
Executive summary:

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-chloro-1-methylpiperidinium chloride. The estimated Log Pow is  1.58. This partition coefficient value indicate that the test chemical 4-chloro-1-methylpiperidinium chloride is hydrophilic in nature.

Description of key information

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-chloro-1-methylpiperidinium chloride. The estimated Log Pow is  1.58. This partition coefficient value indicate that the test chemical 4-chloro-1-methylpiperidinium chloride is hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.58
at the temperature of:
25 °C

Additional information

KOWWIN V1.68 of Estimation program Interface ( EPI 2017) and Danish QSAR was used to estimate the octanol water partition coefficient of the test substance 4-chloro-1-methylpiperidinium chloride. The estimated Log Pow is  1.58. This partition coefficient value indicate that 4-chloro-1-methylpiperidinium chloride is hydrophilic in nature.