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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)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: generally accepted calculation method
Qualifier:
no guideline followed
Principles of method if other than guideline:
Calculation of the partition coefficient by means of ACD Percepta software
GLP compliance:
no
Type of method:
other: calculation
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
-0.73
Temp.:
25 °C
pH:
>= 5 - <= 7
Remarks on result:
other: pH is based on the pH of the substance itself, as reported in the available safety data sheet. The pH is not reported in the study report

log P consensus: -0.73 = 0.43 x log P classic + 0.57 x log P Galas

The result is based on experimental results for the following most similar molecules from the built in data base:

 Compound log P (used in model)  Similarity index 
Tri-n-butylmethylammonium 0.26 0.87
Cyclopentanaminium, N, N, N, 2 -tetramethyl -1.5 0.87 
1-Propanaminium, N-methyl-N,n-dipropyl- -0.98 0.85
Ammonium, trimethyl-3 -phenylpropyl- -2.02 0.81 
Tetraethylammonium -3.15 0.81
Conclusions:
The log P of the substance was determined to be -0.73 by using a calculation method.
Executive summary:

The log P of the substance was determined by using the software ACD percepta Release 14.0.0 (Build 2726 27 Nov 2014). A value of -0.73 at 25 °C was obtained.

Description of key information

The log P of the substance was determined to be -0.73 by using a calculation method.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.73
at the temperature of:
25 °C

Additional information