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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:
2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoic acid
EC Number:
250-830-4
EC Name:
2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoic acid
Cas Number:
31837-42-0
Molecular formula:
C18H15N5O5
IUPAC Name:
2-({2-oxo-1-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)carbamoyl]propyl}diazenyl)benzoic acid

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
11.8
Temp.:
25 °C
pH:
ca. 7
Type:
log Pow
Partition coefficient:
1.07
Temp.:
25 °C
pH:
ca. 7

Any other information on results incl. tables

The octanol and the water solubility were both determined at 25 -26 °C.

It is not possible to enter a temperature range in the field above, therefore 25 °C was taken as the temperature value.

Calculation:

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

(c: individual solubilities; see below).

 

PO36

Octanol solubility [µg/L]

210

Water solubility [µg/L]

17.8

POW

 11.8

log POW

 1.07

Applicant's summary and conclusion

Conclusions:
The calculated log Pow of the test substance is 1.07.
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 1.07.