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EC number: 618-143-8 | CAS number: 883233-93-0
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Based on measured data read across from a category member the log Kow of 1-tetradecene, polymer with 1-dodecene, distn. residues, hydrogenated, c24-84 fraction (consisting of 50 wt% or more of species of same m wt) is considered to be >6.5. As this is an unbounded value, QSAR predictions for other category members have been read across in order to give an indication of the log Kow value for this substance. QSAR predictions indicate that the log Kow is 14.93.
Key value for chemical safety assessment
Additional information
1-Tetradecene, polymer with 1-dodecene, distn. residues, hydrogenated, c24-84 fraction (consisting of 50 wt% or more of species of same m wt) is a member of the category Poly alpha olefins, which contains products that are made from the polymerization/oligomerization of alpha olefins. Physico-chemical properties of substances in the category change in a predictable manner, based on carbon number. Partition coefficient increases with increasing carbon number within the category.
A measured Kowresult is read across from category member 1-decene homopolymer hydrogenated. The result was obtained from a study following OECD guideline 117, HPLC method. The HPLC method is suitable for a UCVB such as this. The reference standard with the highest KOWthat was used in this study is DDT, with a log Kowof 6.5. Therefore log Kowvalues up to 6.5 can be determined using this method. As the log Kowof 1-decene homopolymer hydrogenated was determined to be greater than this it was reported as >6.5 (Walker and Mullee, 2006).
As the log KOWvalue for1-Tetradecene, polymer with 1-dodecene, distn. residues, hydrogenated, c24-84 fraction (consisting of 50 wt% or more of species of same m wt) is considered to be very high, it would be outside the applicability range of all of the standard partition coefficient testing methods. QSAR predictions are therefore read across from two category members, dec-1-ene dimer, hydrogenated and dec-1-ene trimer, hydrogenated, using both EPIWEB 4.0 (USEPA, 2008) and SPARC (Karickhoff et al, 2009), in order to give an indication of how high the partition coefficient is likely to be.
The calculated log KOWvalues for dec-1-ene dimer, hydrogenated were 10.09 and 11.71 respectively for EPIWEB and SPARC. The calculated log KOWvalues for dec-1-ene trimer, hydrogenated were 14.93 and 17.21 respectively for EPIWEB and SPARC. There is a trend of increasing Kowwith increasing carbon number in this category. Dec-1-ene dimer, hydrogenated is the category member with the lowest carbon number, and therefore the lowest partition coefficient. It is therefore considered that log KOWvalues for all other category members, including1-Tetradecene, polymer with 1-dodecene, distn. residues, hydrogenated, c24-84 fraction (consisting of 50 wt% or more of species of same m wt) are greater than 10.
QSAR predictions from EPIWEB have been validated up to an upper log KOWlimit of approximately 8, and the predicted values for these substances are above this limit. The structural components of these substances are, however, within the domain of the QSAR models. Therefore, whilst the substances are within the structural domain of the model, the predictions lay outwith its operating window. Nevertheless, these predictions indicate that the octanol:water partition of these substances is very high, and this is consistent with the result obtained from the standard partition coefficient testing method.
Based on measured data the log Kow of1-tetradecene, polymer with 1-dodecene, distn. residues, hydrogenated, c24-84 fraction (consisting of 50 wt% or more of species of same m wt)is considered to be >6.5. As this is an unbounded value, QSAR predictions for other category members are also read across in order to give an indication of the log Kow value for this substance. The predicted log Kow for dec-1-ene trimer, hydrogenated, and therefore also1-Tetradecene, polymer with 1-dodecene, distn. residues, hydrogenated, c24-84 fraction (consisting of 50 wt% or more of species of same m wt),is 14.93 (EPIWEB).
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