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Physical & Chemical properties

Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2009-05-05
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Test procedure in accordance with national standard methods
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
no
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
4.5
Temp.:
25 °C
pH:
ca. 6
Executive summary:

Decan-1-ol was determined according OECD Guideline 117. The log Pow was determined to be 4.5 at 25 °C.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Value obtained from a recognised source of physico-chemical data. This reference is considered as definitive for octanol-water partition coefficient values.
Principles of method if other than guideline:
No details are available on the guideline used to determine this result.
GLP compliance:
not specified
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
4.57

The pH at which the log Kow was measured is not stated, but it is consistent with expected properties of the substance in its non-ionised state. The temperature is not stated.

Conclusions:
A partition coefficient (log Kow) value of 4.57 is reported in a collection of reliable data which has been subject to peer-review . The result is considered to be reliable.

Description of key information

The log octanol-water partition coefficient of decan-1-ol is 4.5 (by HPLC method). It is supported by a value of 4.57, taken from a reliable and definitive reference source for partitioning data (Hansch and Leo, 1995), and experimental values of 4.5 and 4.7 measured in reliable tests (HPLC method). The value taken from literature for pure alcohol (4.57) is used in exposure modelling.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.5
at the temperature of:
20 °C

Additional information

The log partition coefficient of 4.5 was determined in a reliable study.

It is supported by a value of 4.57, taken from a reliable and definitive reference source for partitioning data (Hansch and Leo, 1995), and experimental values of 4.5 and 4.7 measured in reliable tests (HPLC method).

The value taken from literature for pure alcohol (4.57) is used in exposure modelling.

Discussion of trends in the Category of C6-24 linear and essentially-linear aliphatic alcohols:

As chain length increases, the free energy required for a molecule to dissolve becomes less favourable for larger molecules. The octanol-water partition coefficient increases with molecular weight because each additional -CH2- group makes the octanol phase more preferred over water in terms of relative solvation energy.