有机、无机化合物酸碱解离常数pKa-pKb数据

pKaDataCompiledbyR.Williamspage-1pKaValuesINDEXInorganic2Phenazine24Phosphates3Pyridine25Carboxylicacids4,8Pyrazine26Aliphatic4,8Aromatic7,8Quinoline27Phenols9Quinazoline27Alcoholsandoxygenacids10,11Quinoxaline27AminoAcids12SpecialNitrogenCompounds28Peptides13Hydroxylamines28NitrogenCompounds14Hydrazines28Aliphaticamines15,17,19Semicarbazones28Cyanoamines16Amidoximes28Anilines17,18,20Thiols29Nucleosides21CarbonAcids30,31SpecialTableHeterocycles22Indicators31Acridine23References32-34Benzoquinoline24Cinnoline23Hydantoin24Imidazole24Forcomplexchelatingagents,seealsoreference77.Note.ThisdocumentwascompiledbyW.P.JencksandhasbeenaddedtobyF.H.WestheimerpKaDataCompiledbyR.Williamspage-2ACIDSCompoundpKRef.H3PO22.0,2.23*28H2PO4–7.21*77AgOH3.964HPO4_12.32*77Al(OH)311.228H3PO32.028As(OH)39.2228H2PO3–6.58*77H3AsO42.22,7.0,13.028H4P2O71.52*77H2AsO4–6.98*77H3P2O7–2.36*77HAsO4*11.53*77H2P2O7=6.60*77As2O304HP2O7=9.25*77H3AsO39.22*H3BO39.23*28HReO4-1.2530H2B4O74.0034HSCN4.0034H2SeO32.6,8.3,2.62*28HB4O79.0034HSeO38.3277Be(OH)23.74H2SeO4Strong,2.028HBr-9.0031HOBr8.728HSeO42.0034HOCl7.53,7.4628,33H3SiO310.034HClO22.028H2SO31.9,7.0,1.76*28,77HClO3-1.0028H2SO4-3.0,1.928HClO4(70%)-10.0031HSO37.21*77CH3SO3H-0.631HSO4–1.99*77HCN9.4034H2S2O41.929H2CO36.37,6.35*,3.5834,32H2Se3.89*77HCO310.33*HSe–11.00*77H2CrO4-0.9830H2S7.00*77HCrO46.50*2,30HS–12.92*77HOCN3.9234HSbO211.034HZ3.17*,0.59*77HTe5.0034H2GeO38.59,12.7234,78H2Te2.64,11.034,78Ge(OH)48.68,12.728H2TeO32.7,8.028HI-10.031Te(OH)66.2,8.828HOI11.028H2VO4–8.9530HIO30.828HVO4=14.430H4IO6–6.0034H2CrO40.7477H5IO61.64,1.55,8.2734,28HOCN3.7377HMnO4-2.2530HSCN0.8577NH3OH*5.98*H3PO21.0777NH4*9.24*77H3PO42.12*77HN34.72*77H2S2O30.60*,1.72*77HNO23.2928H3AuO313.3,16.078HNO3-1.328H3GaO310.32,11.778N2H5+7.99*77H5IO63.29,6.70,15.078H2N2O27.0534(seeabove!)H2N2O2–11.034H4V6O171.9678H2OsO512.134H2NSO3H1.080H2O15.7noneH3O+-1.7none*Indicatesathermodynamicvalue.Pb(OH)26.48(10.92)4(78)PHOSPHATESANDPHOSPHONATESCF3-1.16,3.9357CCl3-1.63,4.8157PhosphatesNH3+CH2-2.35,5.957CompoundpKRef.(–OOCCH2)2NH+CH2–--,5.5757Phosphate1.97,6.82,12.555CHCl2-1.14,5.6157Glycericacid2-phosphate3.6,7.153CH2CI-1.40,6.3057Enolpyruvicacid3.5,6.453CH2Br-1.14,6.5257Methyl-1.54,6.3155(–OOCCH22NH+(CH2)2---,6.5457Ethyl-1.60,6.6255CH2I-1.30,6.7257n-Propyl-1.88,6.6755NH3+CH2CH2-2.45,7.0057n-Butyl-1.80,6.8455Dimethyl-1.2955C6H5CH=CH-2.00,7.157Di-n-propyl1.5955HOCH2-1.91,7.1557Di-n-butyl-1.7255C6H5NH2+(CH2)3-2.1,--57Glucose-3-0.84,5.6756C6H5NH(CH2)3---,7.1757Glucose-4-0.84,5.6756Br(CH2)2-2.25,7.357α-glycero-1.40,6.4454CH3(CH2)5CH(COO–)---,7.557β-glycero-1.37,6.3454C6H5CH2-2.3,7.55573-phosphoglycericacid1.42,3.4254NH3+(CH2)4)-2.55,7.55572-phosphoglycericacid1.42,3.55,7.1peroxymonophosphoricacid4.0569NH3+(CH2)5-2.6,7.657diphosphoglycericacid7.40,7.9954NH3+(CH2)10---,8.0057glyceraldehyde-2.10,6.7554–OOC(CH2)10---,8.2557dioxyacetone-1.77,6.4554(CH3)3SiCH2-3.22,8.7057hexosedi-1.52,6.3154fructose-6-0.97,6.1154C6H5CH2-3.3,8.457glucose-6-0.94,6.1154(C6H5)SC-3.85,9.0057glucose-1-1.10,6.1354adenylicacid3.8?,6.2?54Arylphosphonicacidsinosinicacid2.4?,6.4?542X-RC6H3PO3H2ADP2strong,6.654XRATP3strong,6.654Cl4-O2N1.12,6.1457pyrophosphoricacid0.9,2.0,6.6,9.454Br5-O2N(a),6.1457phosphopyruvicacid3.5,6.3854Cl5-Cl(a),6.6357creatinephosphate2.7,4.554ClH1.63,6.9857argininephosphate2.8,4.5,9.6,11.254BrH1.64,7.0057arginine2.02,9.0,12.554Br5-CH31.81,7.1557aminophosphate(-0.9),2.8,8.254Cl4-NH2--,7.3357trimetaphosphate2.0577CH3O4-O2N1.53,6.9657CH3OH2.16,7.7757PhosphonatesCH3O4-O2N--,8.2257H2O3P(CH2)4PO3H22,2.75,7.54,8.3857HO4-O2N1.22,5.3957H2O3P(CH2)3PO3H22,2.65,7.34,8.3557O2NH1.45,6.7457H2O3PCH2CH(CH3)PO3H22,2.6,7.00,9.2757FH1.64,6.8057H2O3PCH2PO3H22,2.57,6.87,10.3357IH1.74,7.0657Methyl-2.3557NH2H--,7.2957Ethyl-2.4357CH3H2.10,7.6857n-propyl-2.4557C6H5H(a),8.1357isopropyl-2.55,7.7557HOOCH1.71,9.1757n-butyl-2.59,8.1957isobutyl-2.70,8.4357**Thesevalueswereobtainedin50%ethanol.s-butyl-2.74,8.4857(a)Thecompoundswerenotsufficientlysoluble.t-butyl-2.79,8.8857Forgraphicalplotsofalargenumberofsubstitutedphosphoruscompoundssee83.neopentyl-2.84,8.65571,1Dimethylpropyl-2.88,8.9657n-hexyl-2.6,7.957triphosphate8.90,6.26,2.3077n-dodecyl---,8.2557tetrametaphosphate2.7477CH3(CH2)5CH(COOH)-1,--57fluorophosphate0.55,4.856Aceticacids,substitutedPhosphonates(Ref.2)H-4.76*20X-H-H-NH3+-NH3+O2N-1.68*20X(CH2)PO3H22.357.11.855.35(CH3)3N+-1.83*20X(CH2)2PO3H22.457.852.457.00(CH3)2NH+-1.95*20X(CH2)4PO3H22.557.55CH3NH2+-2.16*20X(CH2)5PO3H22.67.65NH3+-2.31*20X(CH2)6PO2H22.67.9CH3SO2-2.36*20X(CH2)10PO2H28.00NC-2.43*20Phosphinesinacetonitrile,seeref.89.C6H5SO2-2.4420HO2C2.83*20CARBOXYLICACIDSAliphaticC6H5SO-2.6620CompoundpKRef.F-2.6620Acetoacetic3.586Cl-2.86*20Acetopyruvic2.61,7.85(enol)6Br-2.8620Aconitic,trans-2.80,4.466Cl2-1.2920Betaine1.846F2-1.2420Citric3.09,4.75,5.416Br3-0.6620Crotonic4.696Cl3-0.6520Dihydroxyfumaric1.146F3-0.23(-0.26)(2)20Dethylenediamine-2.00,2.676HONC43.0120tetraacetic6.16,10.26F3C-3.07*20Formic3.77*2N3-3.0320Fumaric3.03,4.546I-3.1220Glyceric3.556C6H5O-3.1220Glycollic3.826C