Registration Dossier
Registration Dossier
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EC number: 700-308-1 | CAS number: 1335203-19-4
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
Due to experimental technical difficulties with similar PAO materials, a reliable octanol partition coefficient (Kow) or Log Kow value could not be determined for the reaction products of 1-decene, 1-dodecene, and 1-octene, hydrogenated. Instead, a computational (in silico) method was carried out to estimate the Log Kow for the test material. The calculated Log Kow was found to be 10.02 to 10.09 for the C20H42 components (1-decene dimer, hydrogenated or eicosane) and to be 11.07 for the C22H46 components (1-decene dimer with dodecene, hydrogenated) of the test material using EPI Suite (v.3.12) (US EPA 2000) QSAR model. Therefore, a calculated log Kow of greater than 10 is expected for the reaction products of 1-decene, 1-dodecene, and 1-octene, hydrogenated based on the major components (i.e. C20-C22 materials which make up as much as 95% of the UVCB material). .
Key value for chemical safety assessment
- at the temperature of:
- 20 °C
Additional information
Calculated Log Kow values ranging from 10.02 to 11.07 were estimated for the main components (C20-C22) of the reaction products of 1-decene, 1-dodecene and 1-octene, hydrogenated using US EPA EPI Suite (v3.12) QSAR model. The constituents include C20H42 components and the C22H46 components. Due to anticipated technical difficulties, an experimentally determined octanol partition coefficient (Kow) or Log Kow value could not be reliably determined for the reaction products of 1-decene, 1-dodecene and 1-octene, hydrogenated. Water solubility measurements would be hampered by analytical detection limitations as well as incomplete phase separation of the test substance in the aqueous phase samples based on our previous experiences with related PAO materials. Instead, a computational (in silico) method using EPI Suite (v.3.12) (US EPA 2000) was carried out out to estimate the Log Kow values for the main constituents of the reaction products for 1-decene, 1-dodecene, and 1-octene, hydrogenated. The overall calculated Log Kow for the reaction products of 1 -decene, 1-dodecene and 1-octene hydrogenated would be expected to fall within the range of 10.02 to 11.07 and would be expected to be greater than 10 based on the major C20-C22 components.
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