1、Dissociation Constants Of Organic Acids AndBasesThis table lists the acid-base dissociation constants of over 600 organic compounds, including many amino acids. All data apply to dilute aqueous solutions and are presented in the form of pKa, whichis the negative of the logarithm of the acid dissocia

2、tion constantMolecular formulaNameStepTi° (pKaCH2O2Formic acid203.75CH4N2OUrea210.10CH5NMethylamine2510.63C2HCl3O2Trichloroacetic acid250.70C2H2Cl2O2Dichloroacetic acid251.48C2H2O3Glyoxylic253.18C2H2O4Oxalic acid1251.232254.19C2H3BrO2Bromoacetic acid252.69C2H3ClO2Chloroacetic acid252.85C2H3IO2I

3、odoacetic acid253.12C2H4OSThioacetic acid253.33C2H4O2Acetic acid254.76C2H4O3Glycolic acid253.83C2H5NEthyleneimine258.01C2H5NOAcetamide250.63C2H5NO2Glycine1252.352259.78C2H6O2Ethylene glycol2514.22C2H7AsO2Cacodylic acid1251.572256.27C2H7NDimethylamine2510.68C2H7NEthylamine2510.70C2H7NOEthanolamine259

4、.50C2H7NO3STaurine1225251.59.061C2H7NSCysteamine1258.3522510.81C2H8N21,2-Ethanediamine1010.712207.564C3H3NO2Cyanoacetic acid252.45C3H3NSThiazole202.44C3H4N21H-Imidazole256.953C3H4N2S2-Thiazolamine205.36C3H4O2Acrylic acid254.25C3H4O3Pyruvic acid252.39C3H4O4Malonic acid1252.832255.69C3H5C1O22-Chloropr

5、opanoic acid252.83C3H5C1O23-Chloropropanoic acid253.98C3H6N6Melamine255.00C3H6O2Propanoic acid254.86C3H6O33-Hydroxypropanoic acid254.51C3H6O3Lactic acid1003.08C3H6O4Glyceric acid253.52C3H7NAzetidine2511.29C3H7NO2L-Alanine1252.342259.87C3H7NO2-Alanine1253.5522510.24C3H7NO2Methylglycine1252.2122510.12

6、C3H7NO2SCysteine1251.922258.3732510.70C3H7NO3Serine1252.192259.21C3H7NO5Sl -Cysteic acid1251.32251.93258.70C3H7N3O2Glycocyamine252.82C3H8O3Glycerol2514.15C3H9NPropylamine2010.60C3H9NTrimethylamine259.80C3H9NO1-Amino-2-methoxyethane109.89C3H9NOTrimethylamine oxide254.65C3H10N21,2-Propanediamine1259.8

7、22256.61C3H10N21,3-Propanediamine11010.942109.03C3H11N31,2,3-Triaminopropane1209.592207.95C4H4N2Pyrazine270.65C4H4N2Pyridazine202.24C4H4N2O3Barbituric acid254.01C4H4N2O5Alloxanic acid256.64C4H4N4O25-Nitropyrimidinamine200.35C4H4O4trans -Fumaric acid1183.032184.44C4H4O4Maleic acid1251.832256.07C4H4O5

8、Oxaloacetic acid1252.222253.8932513.03C4H5N32-Pyrimidinamine203.45C4H6N21-Methylimidazol256.95C4H6N4O3Allantoin258.96C4H6O23-Butenoic acid254.34C4H6O2trans -Crotonic acid254.69C4H6O3Acetoacetic acid183.58C4H6O32-Oxobutanoic acid252.50C4H6O4Methymalonic acid1253.072255.76C4H6O4Succinic acid1254.16225

9、5.61C4H6O5Malic acid1253.402255.11C4H6O6:-Tartaric acid1252.982254.34C4H6O6mesQTartaric acid1253.222254.82C4H6O8Dihydroxytartaric acid251.92C4H7CIO22-Chlorobutanoic acidRT2.86C4H7CIO23-Chlorobutanoic acidRT4.05C4H7CIO24-Chlorobutanoic acidRT4.52C4H7NO24-Cyanobutanoic acid252.42C4H7NO3N-Acetylglycine

10、253.669C4H7NO4Aspartic acid1251.992253.903259.90C4H7N3OCreatinine1254.8329.2C4H8N2O3Asparagine1202.172208.80C4H8N2O3N-Glycylglycine253.139C4H8O2Butanoic acid254.83C4H8O22-Methylpropanoic acid254.88C4H8O33-Hydroxybutanoic acid254.70C4H8O34-Hydroxybutanoic acid254.72C4H9NPyrrolidine2511.27C4H9NOMorpho

11、line258.33C4H9NO22-Aminobutanoic acid1252.292259.83C4H9NO24-Aminobutanoic acid1254.03122510.556C4H9NO2N, N-Dimethylglycine259.89C4H9NO22-Methylalanine1252.3622510.21C4H9NO2SHomocysteine1252.222258.8732510.86C4H9NO3Homoserine1252.712259.62C4H9NO3DL-Methoxyalanine252.037C4H9NO3Threonine1252.092259.10C

12、4H9N3O2Creatine1252.6322514.3C4H10N2Piperazine1239.832235.56C4H10N2O22,4-Diaminobutanoic acid1251.852258.2432510.44C4H11NButylamine2010.77C4H11Nsec-Butylamine2510.56C4H11Ntert -Butylamine2510.68C4H11NDiethylamine4011.02C4H12N21,4-Butanediamine12010.802209.35C4H12O21,2-Dimethylaminoethane12510.402258

13、.26C5H4BrN3-Bromopyridine252.84C5H4CIN3-Chloropyridine252.84C5H4N4Purine1202.302208.96C5H4N4O3Uric acid123.89C5H5NPyridine255.25C5H5NO4-Pyridinol1203.2022011.12C5H5NO2(1H)-Pyridinone1200.7522011.65C5H5N51H-Purin-6-amine1254.122259.83C5H6N22-Methylpyrazine271.45C5H6N22-Pyridinamine206.82C5H6N24-Pyrid

14、inamine259.114C5H6O41,1-Cyclopropanedicarboxylic acid1251.822257.43C5H6O4Itaconic acid1253.852255.45C5H6O4Mesaconic acid1253.092254.75C5H6O52-Oxoglutaric acid1252.472254.68C5H7NO3L-2-Pyrrolidone-5-carboxylic acid253.32C5H7N3Methylaminopyrazine253.39C5H7N32,5-Pyridinediamine206.48C5H8N22,4-Dimethylim

15、idazzol258.36C5H8O4Dimethylmalonic acid253.15C5H8O4Glutaric acid1254.312255.41C5H8O4Methylsuccinic acid1254.132255.64C5H9NO2Proline1251.95222510.64C5H9NO35-Aminolevulinic acid1254.052258.90C5H9NO3trans -4-Hydroxyroline1251.8182259.662C5H9NO38-Hydroxypurine1202.562208.26C5H9NO4L-Glutamic acid1252.132

16、254.31C5H9N3Histamine1256.042259.75C5H10N2O2Diaminopimelic acid1251.82252.23258.84259.9C5H10N2O3L-Glutamine1252.172259.13C5H10N2O3Glycylalanine253.15C5H10N2O4Glycylserine1252.982258.38C5H10O22-Methylbutanoic acid254.80C5H10O23-Methylbutanoic acid254.77C5H10O2Pentanoic acid254.84C5H10O2Trimethylaceti

17、c acid255.03C5H11NN-Methylpyrrolidine2510.32C5H11NPiperidine2511.123C5H11NO25-Aminopentanoic acid1254.2722510.766C5H11NO2Betaine01.83C5H11NO2Norvaline1252.322259.81C5H11NO2N-Propylglycine1252.3522510.19C5H11NO2Valine1252.292259.74C5H11NO2SMethionine1252.132259.27C5H12N2O2Ornithine1251.7052258.693251

18、0.76C5H13N1-Aminno-2,2-dimethylpropane2510.15C5H13NDiethylmethylamine2510.35C5H13N3-Methyl-1-butanamine2510.60C5H13N2-Methyl 2-butanamine1910.85C5H13N3-Pentanamine1710.59C5H13NPentylamine2510.63C5H14NOCholine2513.9C5H14N2Cadaverine12510.0522510.93C6H3CIN46-Cbloropteridine203.68C6H3N3O7Picric acid250

19、.38C6H4C12O2,3-Dichlorophenol257.44C6H4N2O35-Hydroxylysine252.13C6H4N2O52,4-Dinitrophenol153.96C6H4N2O53,6-Dinitrophenol155.15C6H4N4Pteridine204.05C6H5Br2N3,5-Dibromoaniline252.34C6H5CIO2-Chlorophenol258.49C6H5CIO3-Chlorophenol258.85C6H5CIO4-Chlorophenol259.18C6H5CI2N2,4-Dichloroaniline222.05C6H5NO2

20、-Pyridinecarboxaldehyde203.80C6H5NO2Nitrobenzene03.98C6H5NO2Picolinic acid1251.072255.25C6H5NO23-Pyridinecarboxylic acid254.85C6H5NO24-Pyridinecarboxylic acid254.96C6H5NO32-Nitrophenol257.17C6H5NO33-Nitrophenol258.28C6H5NO34-Nitrophenol257.15C6H5N5O2-Amino-4-hydroxypteridine1202.272207.96C6H5N5O2Xan

21、thopterin2206.593209.31C6H6BrN2-Bromoaniline252.53C6H6BrN3-Bromoaniline253.58C6H6BrN4-Bromoaniline253.86C6H6CIN2-Chloroaniline252.65C6H6CIN3-Chloroaniline253.46C6H6CIN4-Chloroaniline254.15C6H6FN2-Fluoroaniline253.20C6H6FN3-Fluoroaniline253.50C6H6FN4-Fluoroaniline254.65C6H6IN2-Iodoaniline252.60C6H6N2

22、O2-Pyridinecarboxaldehyde,oxime1203.5922010.18C6H6N2O22-Nitroaniline25-0.26C6H6N2O23-Nitroaniline252.466C6H6N2O24-Nitroaniline251.0C6H6OPhenol209.89C6H6O2Hydroquinone2010.35C6H6O2Pyrocatechol209.85C6H6O2Resorcinol259.81C6H6O3SBenzenesulfonic acid250.70C6H6O6cis -Aconitic acid251.95C6H6O6trans -Aconi

23、tic acid1252.802254.46C6H7NAniline254.63C6H7N2-Methylpyridine205.97C6H7N3-Methylpyridine205.68C6H7N4-Methylpyridine206.02C6H7NOMethoxypyridine256.47C6H7NO3So-Aminobenzenesulfonic acid252.48C6H7NO3SmAminobenzenesulfonic acid253.73C6H7NO3Sp-Aminobenzenesulfonic acid253.24C6H8N2N-Methylpyridinamine209.

24、65C6H8O6Ascorbic acid1244.1021611.79C6H8O7Citric acid1203.142204.773206.39C6H8O7Isocitric acid1253.292254.713256.40C6H9NO6-Carboxyglutamic acid1251.72253.23254.754259.9C6H9N34,6-Dimethylpyrimidinamine204.82C6H9N3O2Histidine1251.802256.043259.33C6H10O32-Oxo-3-methylpentanoic acid252.3C6H10O4Adipic ac

25、id1254.432255.41C6H10O43-Methylglutaric acid254.24C6H11NO2l -Pipecolic acid1252.2822510.72C6H11NO3Adiparnic acid254.63C6H11NO42-Aminoadipic macid1252.142254.213259.77C6H11N3O4Glycylasparagine1252.9422188.44C6H11N3O4N-( N-Glycylglycyl)glycine1225253.2258.09C6H12N2O4S2Cystine1352.12358.0C6H12O2Hexanoi

26、c acid254.85C6H12O24-Methylpentanoic acid184.84C6H13NCyclohexylamine2410.66C6H13N1,2-Dimethylpyrrolidine2610.20C6H13N1-Methylpiperidine2510.08C6H13NO26-Aminohexanoic acid1254.37322510.804C6H13NO2Isoleucine1252.322259.76C6H13NO2L-Leucine1252.3282259.744C6H13NO2Norleucine1252.3352259.83C6H13N3O3Citrul

27、line1252.432259.69C6H14N2cis -1,2-Cyclohexanediamine1209.932206.13C6H14N2trans -1,2-Cyclohexanediamine1209.942206.47C6H14N22,5-Dimethylpiperazine1259.662255.20C6H14N2O2Lysine1252.162259.0632510.54C6H14N4O2Arginine1251.822258.9932512.48C6H15N3-Amino-3-methylpentane1611.01C6H15NDiisopropylamine2511.05

28、C6H15NHexylamine2510.56C6H15NTriethylamine2510.75C6H16N2Hexamethylenediamine1011.8572010.762C7H5BrO22-Bromobenzoic acid252.84C7H5BrO23-Bromobenzoic acid253.86C7H5CIO22-Chlorobenzoic acid252.92C7H5CIO23-Chlorobenzoic acid253.82C7H5CIO24-Chlorobenzoic acid253.98C7H5IO22-Iodobenzoic acid252.85C7H5IO23-

29、Iodobenzoic acid253.80C7H5NO3SSaccharin1811.68C7H5NO4Dinicotinic acid252.80C7H5NO4Dipicolinic acid1252.162254.76C7H5NO4Lutidinic acid252.15C7H5NO42-Nitrobenzoic acid182.16C7H5NO43-Nitrobenzoic acid253.47C7H5NO44-Nitrobenzoic acid253.41C7H5NO4Quinolinic acid1252.432254.78C7H6N2Benzimidazole255.532C7H

30、6N4O6-Hydroxy-4-methylpteridine1204.082206.41C7H6O2Benzoic acid254.19C7H6O3o-Hydroxy-4-methylpteridine1192.9721813.40C7H6O3m-Hydroxybenzoic acid1194.062199.92C7H6O3p-Hydroxybenzoic acid1194.482199.32C7H6O42,5-Dihydroxybenzoic acid1252.97C7H6O43,4-Dihydroxybenzoic acid1254.482258.8332512.6C7H6O43,5-D

31、ihydroxybenzoic acid1254.04C7H6O4Dihydroxymalic acid251.92C7H6O5Gallic acid254.41C7H6O52,4,6-Trihydroxybenzoic acid251.68C7H7NO22-Aminobenzoic acid1252.1082254.946C7H7NO23-Aminobenzoic acid2254.78C7H7NO24-Animobenzoic acid1252.5012254.874C7H8N4O2Theobromine187.89C7H8Oo-Cresol2510.20C7H8OmCresol2510.

32、01C7H8Op-Cresol2510.17C7H9NBenzylamine259.33C7H9N2,3-Dimethylpyridine256.57C7H9N2,4-Dimethylpyridine256.99C7H9N2,5-Dimethylpyridine256.40C7H9N2,6-Dimethylpyridine256.65C7H9N3,4-Dimethylpyridine256.46C7H9N3,5-Dimethylpyridine256.15C7H9N2-Ethylpyridine255.89C7H9NN-Methylaniline254.84C7H9No-Methylanili

33、ne254.44C7H9Nm-Methylaniline254.73C7H9Np-Methylaniline255.08C7H9NOo-Anisidine254.52C7H9NOm-Anisidine254.23C7H9NOp-Anisidine255.34C7H9NS4-Methylthioaniline254.35C7H9N52-Dimethylaminopurine1204.0022010.24C7H11N3O2l -1-Methylhistidine1251.692256.483258.85C7H11N3O2l -3-Methylhistidine1251.922256.563258.

34、73C7H12O2Cyclohexanecarboxylic acid254.90C7H12O4Heptanedioic acid1254.712255.58C7H13NO3-Acetylpiperidine253.18C7H13NO4-Ethylglutamic acid1253.8462257.838C7H14O2Heptanoic acid254.89C7H15N1,2-Dimethylpiperidine2510.22C7H15N1-Ethylpiperidine2310.45C7H15NO3Carnitine253.80C7H17N2-Heptanamine1910.7C7H17NH

35、eptylamine2510.67C8H6N2Cinnoline202.37C8H6N2Quinazoline203.43C8H6N2Quinoxaline200.56C8H6N2O5-Hydoxxyquinazoline1203.622207.41C8H6O4o-Phthalic acid1252.892255.51C8H6O4m-Phthalic acid1253.542184.60C8H6O4p-Phthalic acid1253.512164.82C8H6O4Terephthalic acid253.51C8H7CIO22-Chlorophenylacetic acid254.07C8

36、H7CIO23-Chlorophenylacetic acid254.14C8H7CIO24-Chlorophenylacetic acid254.19C8H7CIO32-Chlorophenoxyacetic acid253.05C8H7CIO33-Chlorophenoxyacetic acid253.10C8H7NO42-Nitrophenylacetic acid254.00C8H7NO43-Nitrophenylacetic acid253.97C8H7NO44-Nitrophenylacetic acid253.85C8H8N22-Methylbenzimidazole256.19

37、C8H8O2Phenylacetic acid184.28C8H8O2o-Toluic acid253.91C8H8O2m-Toluic acid254.27C8H8O2p-Toluic acid254.36C8H8O3DL-Mandelic acid253.85C8H8O4Homogentisic acid254.40C8H9NO22-(Methylamino)benzoic acid255.34C8H9NO23-(Methylamino)benzoic acid255.10C8H9NO24-(Methylamino)benzoic acid255.04C8H9NO2Phenylglycin

38、e1251.832254.39C8H10BrN4-Bromo-N N-dimethylaniline254.23C8H10CIN3-Chloro- N, N-dimethylaniline203.83C8H10CIN4-Chloro- N, N-dimethylaniline204.39C8H10N2O2N, N-Dimethyl-3-nitroaniline252.62C8H11NN, N-Dimethylaniline255.15C8H11NN-Ethylaniline245.12C8H11NPhenylethylamine259.84C8H11N2,4,6-Trimethylpyridi

39、ne257.43C8H11NOo-Phenetidine284.43C8H11NOm-Phenetidine254.18C8H11NOp-Phenetidine285.20C8H11NOTyramine1259.7422510.52C8H11NO2Dopamine1258.922510.6C8H11NO3Noradrenaline1258.642259.70C8H12N2O3Veronal257.43C8H14O4Octanedioic acid254.52C8H16N2O3N-Glycylleucine253.18C8H16N2O3N-Leucylglycine1253.252258.2C8

40、H16N2O4S2Homocystine1251.592252.543258.524259.44C8H16O2Octanoic acid254.89C8H17N2,2,4-Trimethylpiperidine3011.04C8H19NDibutylamine2111.25C8H19NN-Methyl-2-heptanamine1710.99C8H19NOctylamine2510.65C9H6BrN3-Bromoquinoline252.69C9H7CIO2o-Chlorocinnamic acid254.23C9H7CIO2m-Chlorocinnamic acid254.29C9H7CI

41、O2p-Chlorocinnamic acid254.41C9H7NIsoquinoline205.42C9H7NQuinoline204.90C9H7NO7-Isoquinolinol1205.682208.90C9H7NO3-Quinolinol1204.282208.08C9H7NO8-Quinolinol1205.0172259.812C9H7NO3o-Cyanophenoxyacetic acid252.98C9H7NO3m-Cyanophenoxyacetic acid253.03C9H7NO3p-Cyanophenoxyacetic acid252.93C9H8N21-Isoqu

42、inolinamine207.59C9H8N23-Quinolinamine204.91C9H8O2cis -Cinnamic acid253.89C9H8O2trans -Cinnamic acid254.44C9H9CIO23-(2-Chlorophenyl)propanoic acid254.58C9H9CIO23-(3-Chlorophenyl)propanoic acid254.59C9H9CIO23-(4-Chlorophenyl)propanoic acid254.61C9H9I2NO33,5-Diiodityrosine1252.122255.323259.48C9H9NO3Hippuric acid253.62C9H9NO43-(2-Nitrophenyl)propanoic acid254.50C9H9NO43-(4-Nitrophenyl)propanoic acid254.47C9H10INO33-Iodotyrosine