Hanson, Kaila B. published the artcileEstimating n-octanol-water partition coefficients for neutral highly hydrophobic chemicals using measured n-butanol-water partition coefficients, Category: alcohols-buliding-blocks, the main research area is octanol butanol water partition coefficient; Collander equation; n-Butanol/water partition coefficients; n-octanol/water partition coefficients (K(OW)).
Direct measurement of the n-octanol partition coefficients (KOW) for highly hydrophobic organic chems. is extremely difficult because of the extremely low concentrations present in the water phase. n-Butanol/water partition coefficients (KBW) are generally much lower than KOW due to the increased solubility of solute in the alc. saturated aqueous phase, and therefore become easier to measure. We measured the KBW for 25 neutral organic chems. having measured log KOWs ranging from 2 to 9 and 4 addnl. highly hydrophobic chems., with unmeasured KOWs, having estimated log KOWs ranging from 6 to 18. The measured log KBW and log KOW values were linearly related, r2 = 0.978, and using the regression developed from the data, KOWs were predicted for the 4 highly hydrophobic chems. with unmeasured KOWs. The resulting predictions were orders of magnitude lower than those predicted by a variety of computational models and suggests the estimates of KOW in the literature for highly hydrophobic chems. (i.e., log KOW greater than 10) are likely incorrect by several orders of magnitude.
Chemosphere published new progress about Partition. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Category: alcohols-buliding-blocks.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts