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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Remarks:
Test procedure according to method of Analytical Expert Group ETAD (Ecological and Toxicological Association of Dyes and Organic Pigment Manufacturer)

Data source

Referenceopen allclose all

Reference Type:
study report
Title:
Unnamed
Year:
2005
Report date:
2005
Reference Type:
study report
Title:
Unnamed
Year:
2005
Report date:
2005

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: ETAD Analytical expert group
Version / remarks:
method for substances with very low solubility in both water and n-octanol
Principles of method if other than guideline:
Calculation of log Pow from solubilities in n-octanol (see section 4.9) and water (see section 4.8).
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[(4-chloro-2-nitrophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide
EC Number:
235-462-4
EC Name:
2-[(4-chloro-2-nitrophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide
Cas Number:
12236-62-3
Molecular formula:
C17H13ClN6O5
IUPAC Name:
2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide
Test material form:
solid: bulk

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
6.15
Temp.:
24 °C
pH:
ca. 7
Type:
log Pow
Partition coefficient:
0.79
Temp.:
24 °C
pH:
ca. 7

Any other information on results incl. tables

The determinations of the solubility in water (section 4.8) and of the solubility in n-octanol (section 4.9) used the same batch of the test substance and were carried out at the same temperature (24 -25°C).

Calculation:

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

(c: individual solubilities; see below).

n-octanol solubility: 86.1 µg/L

water solubility: 14 µg/L

pow: 6.15

log pow: 0.79

Applicant's summary and conclusion

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 0.79.