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 logKc: Gas-ionic liquid partition coefficient of cyclohexane in [Tf2N]- ionic liquids

IDNamelogKcDetails
N11-(3-hydroxypropyl)pyridinium i1.399View
N24-Cyano-1-butylpyridinium i1.516View
N34-methyl-N-butylpyridinium i1.846View
N41-Allyl-3-methylimidazolium i1.702View
N51-Butyl-2,3-dimethylimidazolium i1.734View
N61-​butyl-​1-​methyl​piperidinium i1.832View
N7N-butyl-N-methylpyrrolidinium i1.764422320979373View
N81-Benzyl-3-methylimidazolium i1.606View
N91-Benzyl-1-methylpyrrolidinium i1.648View
N101-Benzylpyridinium i1.557View
N11N,N,N',N'-Tetramethyl-N,N'-diisopropyl-1,9-nonanediaminium i1.381View
N12N-decyl-N-methylpyrrolidinium i2.149524998871725View
N13N-propyl-N-methylpyrrolidinium i1.715565034378669View
N14N-Pentyl-N-methylpyrrolidinium i1.880734982391415View
N15N-hexyl-N-methylpyrrolidinium i1.88View
N16N-octyl-N-methylpyrrolidinium i2.04View
N17Cyanomethyl(dimethyl)isopropylammonium i1.121View
N181-Cyclohexylmethyl-3-methylimidazolium i1.89View
N19N-Cyclohexylmethyl-N-methylpyrrolidinium i1.945View
N20N-Cyclohexylmethylpyridinium i1.898View
N211,​3-​didecyl-​2-​methylimidazolium i2.395985753785108View
N22Decyl(trimethyl)ammonium i2.191View
N231-Dodecyl-3-methylimidazolium i2.321View
N24triethylsulfonium i1.6369View
N252-Hydroxyethyl(dimethyl)isopropylammonium i1.228View
N26choline i1.279960107969872View
N271-(2-hydroxyethyl)-3-methylimidazolium i1.23461812845883View
N28trihexyl(tetradecyl)phosphonium i2.531View
N29Hexyl(dimethyl)isopropylammonium i1.803View
N30N-Hexyl-N-methylpiperidinium i2.019View
N31Trimethyl(hexyl)ammonium i1.735View
N321-​hexyloxymethyl-​3-​methyl​imidazolium i2View
N331,​2-​dimethyl-​3-​ethylimidazolium i1.6237View
N34trimethyl(butyl)ammonium i2.059View
N35Trimethyl(octyl)ammonium i2.01View
N36methyl(tributyl)​ammonium i1.959249601886063View
N371-butyl-3-methylimidazolium i1.845View
N381-ethyl-3-methylimidazolium i1.676View
N391-hexyl-3-methylimidazolium i2.002View
N40methyl(trioctyl)ammonium i2.569View
N411-octyl-3-methylimidazolium i2.153View
N42N,N-Diethyl-N-methyl-N-(2-methoxyethyl)ammonium i1.714View
N431-​(methylethylether)​-​3-​methylimidazolium i1.528192154622851View
N444-​(2-​methoxyethyl)​-​4-​methylmorpholinium i1.433602466259281View
N451-​(2-​methoxyethyl)​-​1-​methylpiperidinium i1.752View
N46N-ethylpyridinium i1.589View
N47tetraoctylphosphonium i2.488260459160484View
N48Octyl(diethyl)ammonium i2.096View
N49N-​octylisoquinolinium i2.133View
N50Propyl(dimethyl)isopropylammonium i1.526View
N51N-propyl-N-methylpiperidinium i1.623View
N52N-Pentyl-N-methylpiperidinium i1.916View
N534-​(3-​hydroxypropyl)​-​4-​methylmorpholinium i0.8358760690385105View
N541-Hexylquinuclidinium i1.978View
N551-Octylquinuclidinium i2.187View
N561,2,3-tris(Diethylamino)cyclopropenylium i2.028671812422559View
N571-sec-Butyl-3-methylimidazolium i1.729View
N581-tert-Butyl-3-methylimidazolium i1.672View
N591,​3-​di(hexyloxymethyl)​imidazolium i2.253View
N601,​3-​dimethoxyimidazolium i1.226023529060182View