10967/256 - QDB Compounds

QsarDB Repository

Toots, K. M.; Sild, S.; Leis, J.; Acree Jr., W. E.; Maran, U. Machine learning Quantitative Structure-Property Relationships as a function of ionic liquid cations for the gas-ionic liquid partition coefficient of hydrocarbons. Int. J. Mol. Sci. 2022, 23, 7534.

60 compounds | Property logKb: Gas-ionic liquid partition coefficient of benzene in [Tf2N]- ionic liquids

IDNamelogKbDetails
N11-(3-hydroxypropyl)pyridinium i2.663View
N24-Cyano-1-butylpyridinium i2.811View
N34-methyl-N-butylpyridinium i2.975View
N41-Allyl-3-methylimidazolium i2.833View
N51-Butyl-2,3-dimethylimidazolium i2.828View
N61-​butyl-​1-​methyl​piperidinium i2.903399377395996View
N7N-butyl-N-methylpyrrolidinium i2.849136978031193View
N81-Benzyl-3-methylimidazolium i2.715View
N91-Benzyl-1-methylpyrrolidinium i2.754View
N101-Benzylpyridinium i2.58View
N11N,N,N',N'-Tetramethyl-N,N'-diisopropyl-1,9-nonanediaminium i2.583View
N12N-decyl-N-methylpyrrolidinium i2.88View
N13N-propyl-N-methylpyrrolidinium i2.885382877746102View
N14N-Pentyl-N-methylpyrrolidinium i2.888797635418414View
N15N-hexyl-N-methylpyrrolidinium i2.8View
N16N-octyl-N-methylpyrrolidinium i2.89View
N17Cyanomethyl(dimethyl)isopropylammonium i2.53View
N181-Cyclohexylmethyl-3-methylimidazolium i2.842View
N19N-Cyclohexylmethyl-N-methylpyrrolidinium i2.902View
N20N-Cyclohexylmethylpyridinium i2.92View
N211,​3-​didecyl-​2-​methylimidazolium i2.930087798356861View
N22Decyl(trimethyl)ammonium i2.803View
N231-Dodecyl-3-methylimidazolium i2.943View
N24triethylsulfonium i2.823View
N252-Hydroxyethyl(dimethyl)isopropylammonium i2.468View
N26choline i2.516564488901356View
N271-(2-hydroxyethyl)-3-methylimidazolium i2.400539225222205View
N28trihexyl(tetradecyl)phosphonium i2.862View
N29Hexyl(dimethyl)isopropylammonium i2.73View
N30N-Hexyl-N-methylpiperidinium i2.935View
N31Trimethyl(hexyl)ammonium i2.608372596593079View
N321-​hexyloxymethyl-​3-​methyl​imidazolium i2.845View
N331,​2-​dimethyl-​3-​ethylimidazolium i2.814View
N34trimethyl(butyl)ammonium i2.696View
N35Trimethyl(octyl)ammonium i2.792View
N36methyl(tributyl)​ammonium i2.795591274052049View
N371-butyl-3-methylimidazolium i2.906508966137433View
N381-ethyl-3-methylimidazolium i2.812View
N391-hexyl-3-methylimidazolium i2.886View
N40methyl(trioctyl)ammonium i3.001View
N411-octyl-3-methylimidazolium i2.938View
N42N,N-Diethyl-N-methyl-N-(2-methoxyethyl)ammonium i2.808View
N431-​(methylethylether)​-​3-​methylimidazolium i2.632901697016175View
N444-​(2-​methoxyethyl)​-​4-​methylmorpholinium i2.690727057102055View
N451-​(2-​methoxyethyl)​-​1-​methylpiperidinium i2.85View
N46N-ethylpyridinium i2.796View
N47tetraoctylphosphonium i2.841310753429942View
N48Octyl(diethyl)ammonium i2.944View
N49N-​octylisoquinolinium i2.934View
N50Propyl(dimethyl)isopropylammonium i2.64View
N51N-propyl-N-methylpiperidinium i2.853257206527267View
N52N-Pentyl-N-methylpiperidinium i2.931View
N534-​(3-​hydroxypropyl)​-​4-​methylmorpholinium i2.434218435680792View
N541-Hexylquinuclidinium i2.96View
N551-Octylquinuclidinium i2.979View
N561,2,3-tris(Diethylamino)cyclopropenylium i2.89623335702098View
N571-sec-Butyl-3-methylimidazolium i2.799View
N581-tert-Butyl-3-methylimidazolium i2.719View
N591,​3-​di(hexyloxymethyl)​imidazolium i2.847View
N601,​3-​dimethoxyimidazolium i2.395096371010142View