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.

57 compounds | Property logKh: Gas-ionic liquid partition coefficient of hexane in [Tf2N]- ionic liquids

IDNamelogKhDetails
N11-(3-hydroxypropyl)pyridinium i0.904View
N24-Cyano-1-butylpyridinium i1.064View
N34-methyl-N-butylpyridinium i1.417View
N41-Allyl-3-methylimidazolium i1.266View
N61-​butyl-​1-​methyl​piperidinium i1.419View
N7N-butyl-N-methylpyrrolidinium i1.393391011235955View
N81-Benzyl-3-methylimidazolium i1.106View
N91-Benzyl-1-methylpyrrolidinium i1.129View
N101-Benzylpyridinium i1.115View
N11N,N,N',N'-Tetramethyl-N,N'-diisopropyl-1,9-nonanediaminium i0.932View
N12N-decyl-N-methylpyrrolidinium i1.81View
N13N-propyl-N-methylpyrrolidinium i1.334020107328526View
N14N-Pentyl-N-methylpyrrolidinium i1.407084504444072View
N15N-hexyl-N-methylpyrrolidinium i1.521902964021513View
N16N-octyl-N-methylpyrrolidinium i1.63View
N181-Cyclohexylmethyl-3-methylimidazolium i1.447View
N19N-Cyclohexylmethyl-N-methylpyrrolidinium i1.519View
N20N-Cyclohexylmethylpyridinium i1.432View
N211,​3-​didecyl-​2-​methylimidazolium i2.0743157715774View
N22Decyl(trimethyl)ammonium i1.783View
N231-Dodecyl-3-methylimidazolium i2.002View
N24triethylsulfonium i1.195View
N26choline i0.7899643574656605View
N271-(2-hydroxyethyl)-3-methylimidazolium i0.6227341438873052View
N28trihexyl(tetradecyl)phosphonium i2.192View
N29Hexyl(dimethyl)isopropylammonium i1.462View
N30N-Hexyl-N-methylpiperidinium i1.641View
N31Trimethyl(hexyl)ammonium i1.39View
N321-​hexyloxymethyl-​3-​methyl​imidazolium i1.622View
N331,​2-​dimethyl-​3-​ethylimidazolium i1.21View
N34trimethyl(butyl)ammonium i1.33View
N35Trimethyl(octyl)ammonium i1.672View
N36methyl(tributyl)​ammonium i1.58554060360688View
N371-butyl-3-methylimidazolium i1.435View
N381-ethyl-3-methylimidazolium i1.242View
N391-hexyl-3-methylimidazolium i1.66View
N40methyl(trioctyl)ammonium i2.248View
N411-octyl-3-methylimidazolium i1.793View
N42N,N-Diethyl-N-methyl-N-(2-methoxyethyl)ammonium i1.294View
N431-​(methylethylether)​-​3-​methylimidazolium i1.107962902177177View
N444-​(2-​methoxyethyl)​-​4-​methylmorpholinium i0.9618592296678258View
N451-​(2-​methoxyethyl)​-​1-​methylpiperidinium i1.318View
N46N-ethylpyridinium i1.133View
N47tetraoctylphosphonium i2.167905509403721View
N48Octyl(diethyl)ammonium i1.748View
N49N-​octylisoquinolinium i1.839View
N50Propyl(dimethyl)isopropylammonium i1.118View
N51N-propyl-N-methylpiperidinium i1.156View
N52N-Pentyl-N-methylpiperidinium i1.549View
N534-​(3-​hydroxypropyl)​-​4-​methylmorpholinium i0.209View
N541-Hexylquinuclidinium i1.601View
N551-Octylquinuclidinium i1.838View
N561,2,3-tris(Diethylamino)cyclopropenylium i1.606082602423499View
N571-sec-Butyl-3-methylimidazolium i1.37View
N581-tert-Butyl-3-methylimidazolium i1.202View
N591,​3-​di(hexyloxymethyl)​imidazolium i1.918View
N601,​3-​dimethoxyimidazolium i0.811424026350946View