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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
Reference:
Composition 1
Composition 2
Qualifier:
equivalent or similar to
Guideline:
other: estimated data
Principles of method if other than guideline:
The octanol water partition coefficient of chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate was estimated.
GLP compliance:
not specified
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
- Name ( regulatory process): 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate

- Name of test material (as cited in study report): Acetamide, N- 3- bis 2-(acetyloxy)ethyl amino phenyl

- Molecular formula : C16H22N2O5

- Molecular weight : 322.359 g/mole

- Smiles notation : O=C(OCCN(c1cccc(NC(=O)C)c1)CCOC(=O)C)C
- InChl: 1S/C16H22N2O5/c1-12(19)17-15-5-4-6-16(11-15)18(7-9-22-13(2)20)8-10-23-14(3)21/h4-6,11H,7-10H2,1-3H3,(H,17,19)

- Substance type: Organic
-Physical state: white to off white coloured powder
Key result
Type:
log Pow
Partition coefficient:
1.34
Temp.:
25 °C
Remarks on result:
other: details are not available
Conclusions:
The octanol water partition coefficient of test chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate predicted is 1.34
Executive summary:

The octanol water partition coefficient of test chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate ( CAS no. 27059 -08 -1) 1.34 by this value this chemical is considered hydrophilic in nature.

Description of key information

The octanol water partition coefficient of test chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate (CAS no. 27059 -08 -1) 1.34 by this value this chemical is considered hydrophilic in nature.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.34
at the temperature of:
25 °C

Additional information

The octanol water partition coefficient of test chemical 2,2'-[(3-acetamidophenyl)imino]diethyl diacetate( CAS no. 27059 -08 -1) 1.34 by this value this chemical is considered hydrophilic in nature.