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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
A calculation based on ratio of individual solubilities in octanol and water is provided.

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2018

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Log Kow calculation as the ratio of solubilities in n-octanol (<7 mg/L LOD in n-octanol at 20°C, see Iuclid endpoint 4.9) and water (>27.5 mg/L at 30°C pH 6.25-6.75, see Iuclid endpoint 4.8), in accordance with ECHA Guidance R7a.
GLP compliance:
no
Remarks:
not applicable to non-testing data
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Reaction mass of Trihydrogen [29H,31H-phthalocyaninetrisulphonato(5-)-N29,N30,N31,N32]cobaltate(3-) and [29H,31H-phthalocyaninato-N29,N30,N31,N32]cobalt and dihydrogen [29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32]cobaltate(2-) and hydrogen [29H,31H-phthalocyaninesulphonato(3-)-N29,N30,N31,N32]cobaltate(1-)
Molecular formula:
C32H16N8Co(SO3)n with n=0 to 3
IUPAC Name:
Reaction mass of Trihydrogen [29H,31H-phthalocyaninetrisulphonato(5-)-N29,N30,N31,N32]cobaltate(3-) and [29H,31H-phthalocyaninato-N29,N30,N31,N32]cobalt and dihydrogen [29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32]cobaltate(2-) and hydrogen [29H,31H-phthalocyaninesulphonato(3-)-N29,N30,N31,N32]cobaltate(1-)

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
<= -0.6
Temp.:
30 °C
pH:
>= 6.25 - <= 6.75
Remarks on result:
other: pH and temperature relate to water solubility value at a loading rate of 100 mg/L

Any other information on results incl. tables

Ratio of solubilities:

Log Kow <= log (7/27.5) <= -0.6 at 30°C, pH 6.25 -6.75, for a water loading rate of 100 mg/L.

This value is of limited relevance as the substance is highly insoluble in n-octanol and water solubilty is concentration-dependent due to existence of four constituents with different individual solubilities.

Applicant's summary and conclusion

Conclusions:
The ratio of solubilities in n-octanol and water enables to estimate that log Kow is <= -0.6 at 30°C, pH 6.25-6.75, for a water loading rate of 100 mg/L.
This value is of limited relevance as the substance is highly insoluble in n-octanol and water solubilty is concentration-dependent due to existence of four constituents with different individual solubilities.