Registration Dossier

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
July 25,2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
photometric method
Type:
log Pow
Partition coefficient:
ca. -2.019
Temp.:
20 °C
pH:
ca. 3.58
Type:
Pow
Partition coefficient:
ca. 0.004
Temp.:
20 °C
pH:
ca. 3.58

At 96 hours values reached equilibrium, and so this value was considered for final calculations making duplicate determinations of every ratio o/w. Concentration of mother solution: W1 = 0.0422 g / 100 ml = 0.4220 g/l

Ratio o/w Water phase n-octanol phase Pow log Pow Average log Pow
c (g/l) c (g/l)
70 / 30 0.4219 0.0002 0.0005 -3.322131 -3.3221
50 / 50 0.4194 0.0026 0.0062 -2.210408 -2.2104
30 / 70 0.4168 0.0022 0.0053 -2.274671 -2.2747
pH of the test solution: 3.58  
Average Pow 0.00398 Average log Pow -2.6024
Std. dev. Pow 0.00307 Std. dev. log Pow 0.62
Conclusions:
log Pow = -2.6024Pow = 0.00398
Executive summary:

Method

Partition coefficient was determined by means of shake flask method as per recommendations of OECD 107. Partition coefficient (P) is defined as the ratio of the equilibrium concentrations of a dissolved substance in a two-phase system consisting in two largely immiscible solvents.

Result

Study conducted at 20 °C and pH 3.58.

Pow = 0.00398

log Pow = -2.6024

Description of key information

log Pow = -2.6024 (Pow: 0.00398) at 20 °C and pH 3.58

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.602
at the temperature of:
20 °C

Additional information

Shake Flask method - OECD 107