Registration Dossier
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EC number: 251-068-5 | CAS number: 32503-27-8
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 EPISUITE
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- KOWWIN v1.68 was used to estimate the octanol water partition coefficient of N,N,N-tributylbutan-1-aminium hydrogen sulfate
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Name of test material (as cited in study report): Tetrabutylammonium hydrogen sulphate
- Molecular formula : C16H36N.HO4S
- Molecular weight : 339.53g/mol
- Smiles notation: C([N+](CCCC)(CCCC)CCCC)CCC.S([O-])(=O)(=O)O
- InChl : 1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
- Substance type: Organic
- Physical state: Solid - Key result
- Type:
- log Pow
- Partition coefficient:
- 0.96
- Remarks on result:
- other: pH not available
- Conclusions:
- The estimated logPow value of N,N,N-tributylbutan-1-aminium hydrogen sulfate was 0.96
- Executive summary:
KOWWIN v1.68 was used to estimate the octanol water partition coefficient of N,N,N-tributylbutan-1-aminium hydrogen sulfate
The estimated logPow value of N,N,N-tributylbutan-1-aminium hydrogen sulfate was 0.96.
Based on the values; N,N,N-tributylbutan-1-aminium hydrogen sulfate can be considered to be hydrophillic in nature which is also supported by its solubility in water.
Reference
Description of key information
KOWWIN v1.68 was used to estimate the octanol water partition coefficient of N,N,N-tributylbutan-1-aminium hydrogen sulfate
The estimated logPow value of N,N,N-tributylbutan-1-aminium hydrogen sulfate was 0.96.
Based on the values; N,N,N-tributylbutan-1-aminium hydrogen sulfate can be considered to be hydrophillic in nature which is also supported by its solubility in water.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.96
Additional information
KOWWIN v1.68 was used to estimate the octanol water partition coefficient of N,N,N-tributylbutan-1-aminium hydrogen sulfate
The estimated logPow value of N,N,N-tributylbutan-1-aminium hydrogen sulfate was 0.96.
Based on the values; N,N,N-tributylbutan-1-aminium hydrogen sulfate can be considered to be hydrophillic in nature which is also supported by its solubility in water.
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