Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2011
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Acceptable method for pigments with low solubilities.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Principles of method if other than guideline:
Calculation of log Pow from solubility in octanol (see section 4.9) and water (see section 4.8).
Type of method:
other: Calculation
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[(2-methoxyphenyl)azo]-3-oxobutyramide
EC Number:
279-914-9
EC Name:
N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[(2-methoxyphenyl)azo]-3-oxobutyramide
Cas Number:
82199-12-0
Molecular formula:
C18H17N5O4
IUPAC Name:
2-[(2-methoxyphenyl)diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
235
Temp.:
24 °C
pH:
ca. 7
Type:
log Pow
Partition coefficient:
2.37
Temp.:
24 °C
pH:
ca. 7

Any other information on results incl. tables

The octanol and the water solubility were both determined at 24-25 °C.

It is not possible to enter a temperature range in the field above, therefore 24 °C was taken as the temperature value.

Calculation:

log Kow = logP = log (c(n-octanol)/c(water))

(c: individual solubilities; see below).

 

PY194

Octanol solubility [µg/L]

 2020

Water solubility [µg/L]

 8.60

POW

 235

log POW

 2.37

Applicant's summary and conclusion

Conclusions:
The calculated log Pow of the test substance is 2.37.
Executive summary:

The partition coefficient of the test substance was estimated by calculation from the measured solubilities in water (see section 4.8) and n-octanol (see section 4.9). The calculated log Pow of the test substance is 2.37.