Anesthesia XLII. The oil/water coefficient and water solubility of volatile anesthetics

Polyparameter Linear Free Energy Relationships for Partitioning of Neutral Organic Compounds to Storage Lipids

“…Partition coefficients of 278 compounds to one or more types of storage lipids (e.g., olive oil, peanut oil, corn oil, fish oil, triolein) at 25 °C (22–26 °C to be precise and >90% partition coefficients at 25–26 °C) were extensively collected or converted from the literature (listed in Table S1 in the Supporting Information). ,− ,− Compounds in the data set include alkanes, ethers, alcohols, ketones, esters, alkylbenzenes, haloalkanes, haloolefins, halobenzenes, polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs), pesticides, fluorotelomer alcohols (FTOHs), and many other nonpolar and polar organic compounds, as well as inorganic gases. For practical purposes, all K i slip/w and K i slip/a values in this study are expressed in units of L water /kg storage lipid and L air /kg storage lipid .…”

“…A portion of K i slip/w or K i slip/a values in the data set were measured directly at 25 °C or converted from solubilities or infinite dilution activity coefficients of compounds in storage lipids and water at 25 °C. ,,− Another portion of K i slip/w or K i slip/a values at 25 °C were converted from the above physicochemical quantities measured at multiple temperatures within 4–40 °C. ,− Approximately half of the K i slip/w values for PAHs and PCBs were converted from storage lipid–passive sampler and passive sampler–water partition coefficients ( K i slip/ps and K i ps/w ) measured using silicone (including polydimethylsiloxane [PDMS]) or low-density polyethylene (LDPE) via the thermodynamic cycle (i.e., K i slip/w = K i slip/ps K i ps/w ). − ,− Note that these K i ps/w values for PAHs and PCBs were mostly measured at 20 °C, , and the K i slip/ps values for HOCs are largely temperature independent . After the thermodynamic cycle, the K i slip/w values at 20 °C were adjusted to 25 °C using the method proposed by Jonker et al This method was originally developed for silicone–water partition coefficient ( K i silicone/w ) for PAHs and PCBs, based on the empirical linear correlation between log K i silicone/w and temperature (see ref for details), and should also be applicable for K i slip/w from the perspective of the thermodynamic cycle.…”