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Physical & Chemical properties

Partition coefficient

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partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
28 Apr 2010
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Principles of method if other than guideline:
For a surfactant, all methods for the determination of Log P have limitations, and calculation is one the suggested procedures by REACH guidance. In addition, if there is an ionisable group, the literature suggests the calculation of Log D .

logP refers to the logarithm of the Partition Coefficient, P, which is defined as the ratio of concentration of Neutral species in octanol divided the concentrationof neutral species in water
P = (neutral species)octanol / (neutral species)water

logD refers to the logarithm of the Distribution Coefficient, D, which is defined as the ratio of concentrations of ALL species, neutral & ionized, in octanol divided by the concentration of all speciesin water
D = (neutral species + ionized species)octanol / (neutral species + ionized species)water

One software for the estimation of Log D is Sparc, also suggested in REACH guidance, by using this tool the Log Ds were obtained for the major components ofthe substance.
GLP compliance:
Type of method:
other: calculation
Partition coefficient type:
Key result
log Pow
Partition coefficient:
>= 0.68 - <= 2.31
20 °C
ca. 7
Remarks on result:
other: the value is for Distribution coefficient (log D), average value is 1.5

Components of Alcohols C12 -13, ethoxylated sulphated, branched and linear, sodium salts


Log D at pH 7

linear C12-EO 0 sulphate (from the alcohol parent 15-25%) 1.55


branched C12-EO 0 sulphate


linear C12-EO1 sulphate


branched C12-EO1 sulphate


linear C12-EO2 sulphate


branched C12-EO2 sulphate


linear C12-EO3 sulphate


branched C12-EO3 sulphate


linear C13-EO 0 sulphate (from the alcohol parent 15-25%)


branched C13-EO 0 sulphate


linear C13-EO1 sulphate


branched C13-EO1 sulphate


linear C13-EO2 sulphate


branched C13-EO2 sulphate


linear C13-EO3 sulphate


branched C13-EO3 sulphate


Description of key information

The distribution coefficient (octanol/water) log D is estimated to be in the range of 0.68 - 2.31 with a average value of 1.5 at pH 7 and 20 °C. 

Key value for chemical safety assessment

Additional information

All methods for the determination of Log P have their limitations for surfactants. Calculation is one of the procedures suggested in REACH guidance. In addition, it is suggested that Log D (logarithm of distribution coefficient) instead of Log P can be calculated if ionisable groups are present.

D = (neutral species + ionized species)octanol / (neutral species + ionized species)water

The average value of log D is 1.5, obtained using SPARC model.