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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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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:
28 Apr 2010
Reliability:
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:
no
Type of method:
other: calculation
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
>= 0.68 - <= 2.31
Temp.:
20 °C
pH:
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

Species

Log D at pH 7

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

1.55

branched C12-EO 0 sulphate

0.68

linear C12-EO1 sulphate

1.68

branched C12-EO1 sulphate

1.33

linear C12-EO2 sulphate

1.83

branched C12-EO2 sulphate

1.48

linear C12-EO3 sulphate

1.98

branched C12-EO3 sulphate

1.62

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

1.91

branched C13-EO 0 sulphate

1.00

linear C13-EO1 sulphate

2.02

branched C13-EO1 sulphate

1.66

linear C13-EO2 sulphate

2.16

branched C13-EO2 sulphate

1.81

linear C13-EO3 sulphate

2.31

branched C13-EO3 sulphate

1.96

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.