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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: The study was conducted according to EEC Test method A8 under the GLP regulations including stability determination.
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
not specified
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
4.6
Temp.:
20 °C
pH:
6.5
Details on results:
Centrifugation of the VeoVa 9 in n-octanol/water mixtures produced two clear phases with no alteration in the volumes of the two phases. This demonstrated that VeoVa 9 does not possess surfactancy properties, in that it did not emulsify the mixtures of octanol and water. It was thus deemed valid to continue with the HPLC estimation.

Linear regression of the reference substance results from the refractive index detector gives:
log P0W = 3.85 log k' + 3.71
r2 = 0.99, n = 14, standard error = 0.175

Using this equation, the log P0W value of VeoVa 9 was estimated to be 4.6.
Conclusions:
The Log Pow for vinyl neononanoate by the HPLC method was 4.6.
Executive summary:

The octanol-water partition coefficient (as log Pow) of VeoVa 9 (vinyl ester of neononanoic acid) has been estimated to be 4.6 using high performance liquid chromatography, in accordance with the test method described in the Official Journal of the European Communities (1992). This estimate was supported by a fragment-addition calculation method.

Infrared spectra produced from samples of VeoVa 9 were consistent with the assigned structure for the test substance.

Description of key information

The octanol/water Log Kow of vinyl neononanoate was determined by ECC testing method A8 HPLC under the GLP regulations and by QSAR estimation.  

Key value for chemical safety assessment

Log Kow (Log Pow):
4.6
at the temperature of:
20 °C

Additional information

The octanol/water Log Kow for vinyl neononanoate was determined by EEC testing method A8 HPLC to be 4.6. This experimantally determined value was supported by the Results of O.E.C.D. toolbox QSAR modeling.