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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
data is from authoritative databases and handbooks
Qualifier:
according to
Guideline:
other: as per mentioned below
Principles of method if other than guideline:
Partition Coefficient of 3-nitroacetophenone was determined.
GLP compliance:
no
Type of method:
other: not specified
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Name of test material (as cited in study report): 3-nitroacetophenone
Molecular formula :C8H7NO3
Molecular weight : 165.147
Smiles notation : c1(cc(ccc1)[N+](=O)[O])
C(C)=O
InChl :1S/C8H7NO3/c16(10)73248(57)
9(11)12/h25H,1H3
Substance type: Organic
Physical state: Solid
Key result
Type:
log Pow
Partition coefficient:
1.42
Remarks on result:
other: No additional details mentioned
Conclusions:
The experimental octanol-water partition coefficient (Log Pow) of 3 nitroacetophenone was 1.42
Executive summary:

Data from handbooks, authoritative and modelling databases suggests that the experimental LogPow of 3 nitroacetophenone was 1.42.This value indicates that 3 nitroacetophenone is hydrophillic in nature which is also supported by its solubility in water.

Description of key information

Data from handbooks, authoritative and modelling databases suggests that the experimental octanol-water partition coefficient (LogPow) of 3 nitroacetophenone was 1.42.This value indicates that 3 nitroacetophenone is hydrophillic in nature which is also supported by its solubility in water.

Key value for chemical safety assessment

Log Kow (Log Pow):
1.42

Additional information

Data from handbooks, authoritative and modelling databases suggests that the experimental octanol-water partition coefficient (LogPow) of 3 nitroacetophenone was 1.42.

Partition Coefficient of 3-nitroacetophenone was estimated using KOWWIN v1.68.

The estimated octanol-water partition coefficient (LogPow) of 3 nitroacetophenone was 1.49.

The experimental and estimated values indicate that 3 nitroacetophenone is hydrophillic in nature which is also supported by its solubility in water.