Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
2020
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Principles of method if other than guideline:
Estimation based on solubility ratio.
GLP compliance:
no
Type of method:
estimation method (solubility ratio)
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
2.93
Temp.:
20 °C
Remarks on result:
other: ratio of solubility in n-octanol and water
Key result
Type:
log Pow
Partition coefficient:
3.81
Temp.:
20 °C
Remarks on result:
other: ratio of n-octanol solubility and CMC 1 (0.1 to 1000 mg/l)
Key result
Type:
log Pow
Partition coefficient:
3.72
Temp.:
20 °C
Remarks on result:
other: ratio of n-octanol solubility and CMC 2 (1 mg/l to 1000 mg/l)
Details on results:
1. Water solubility: 1023 mg/L at 20°C (Details see endpoint 4.8 Water solubility; Institut Kuhlmann report no GLP-017/12)
2. Solubility in n-Octanol: 869 g/L at 20°C (Details refer to endpoint 4.9 Solubility in organic solvents; BASF report no 21S01153)
3. CMC values: 135.4 mg/L & 167.5 mg/L at 20°C (Details refer to endpoint 4.10 Surface tension; ECHA request)

The estimation of log Pow is based on solubility ratio:


1. Ratio of solubility in n-octanol and water:


Pow= c(n-octanol) / c( water)= 869 g/L / 1.023 g/L= 849.4624


Log Pow= 2.93


 


2. Ratio of n-octanol solubility and CMC 1 in water:


Pow= c(n-octanol) / c( water)= 869 g/L / 0.1354 g/L= 6’418.0207


Log Pow= 3.81


 


3. Ratio of n-octanol solubility and CMC 2 in water:


Pow= c(n-octanol) / c( water)= 869 g/L / 0.1675 g/L= 5’188.0597


Log Pow= 3.72


 

Conclusions:
The estimatnon of the partion coefficient of the whole test substance based on the ratio of the solubility are as follows:
- log Pow (n-octanol/water)= 2.93
log Pow (n-Octanol/CMC 1)= 3.81
- log Pow (n-octanol/CMC 2)= 3.72

Description of key information

Estimated log Pow values of the whole substance:


- Estimation based on the ratio of solubility in n-octanol and water:


log Pow (octanol/water)= 2.93


- Estimation based on the ratio of n-octanol solubility and CMC 1:


log Pow (octanol/CMC 1)= 3.81


- Estimation based on the ratio of n-octanol solubility and CMC 2:


log Pow (octanol/CMC 2)= 3.72

Key value for chemical safety assessment

Log Kow (Log Pow):
2.93
at the temperature of:
25 °C

Additional information

The partition coefficient of the whole substance was estimated based on solubility ratio as requested by ECHA.


The details on determination of solubility in n-octanol refer to the endpoint 4.9 (solubility in organic solvents) and the details on determination of CMC in water refer to the endpoint 4.10 (surface tension).