有机分子pKa列表

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1、D.H.Ripin,D.A.EvanspKa'sofInorganicandOxo-AcidsChem206SubstratepKaH2O(DMSO)SubstratepKaH2O(DMSO)SubstratepKaH2O(DMSO)SubstratepKaH2O(DMSO)INORGANICACIDSCARBOXYLICACIDSALCOHOLSPROTONATEDSPECIESH2O15.7(32)O(31.2)HOH15.7O+H3O-1.7XOHMeOH15.54(27.9)+-12.4N

2、X=CH34.76(12.3)i-PrOH16.5(29.3)PhOHH2S7.00+OHCH2NO21.68t-BuOH(29.4)17HBr-9.00(0.9)CH2F2.66-7.8c-hex3COH24PhOHHCl-8.0(1.8)CH2Cl2.86+OHCH2Br2.86CF3CH2OH12.5(23.5)-6.2HF3.17(15)PhCHCH2I3.123(CF3)2CHOH(17.9)HOCl7.5CHCl21.29HC6H5OH9.95(18.0)+-6.5HClO4-10CC

3、l30.65OCF-0.25m-O2NC6H4OH8.35PhMe3HHCN9.4(12.9)H3.77p-O2NC6H4OH7.14(10.8)+O-3.8HN34.72(7.9)HO3.6,10.3p-OMeC10.20(19.1)MeMe6H4OHC6H54.2(11.1)2-napthol(17.1)O+H-2.05HSCN4.00o-O2NC6H42.17HH2SO31.9,7.21m-O2.45OXIMES&HYDROXAMICACIDSO+-2.22NC6H4MeHH-3.0,1.9

4、9p-O2NC6H43.44OH+OH2SO4No-ClC6H42.9411.3(20.1)S-1.8H3PO42.12,7.21,PhPhMeMe12.32m-ClC6H43.83OHNO3-1.3p-ClC3.99OH8.88(13.7)+6H4PhN(NH)NOH0.79HNO3.29o-(CH+C1.37OH23)3N6H4+OH(18.5)H-0.98,6.50p-(CH3)3NC6H43.43PhN2CrO4SULFINIC&SULFONICACIDSCH-2.6(1.6)p-OMeC

5、6H44.47Me3SO3HOOOPEROXIDESCF3SO3H-14(0.3)S-2.6ROHMeOHNH9.244Cl11.5OR=H4.25MeOOHB(OH)39.23S2.1trans-CO2H3.02,4.38CH3CO3H8.2PhOHHOOH11.6cis-CO2H1.92,6.23*Values<0forH2OandDMSO,andvalues>14forwaterand>35forDMSOwereextrapolatedusingvariousmethods.D.H.Ripi

6、n,D.A.EvanspKa'sofNitrogenAcidsChem206SubstratepKaH2OH(DMSO)SubstratepKa2O(DMSO)SubstratepKaH2O(DMSO)SubstratepKaH2O(DMSO)PROTONATEDNITROGENAMINESIMIDESAMIDINESN+H9.2(10.5)HN34.7(7.9)OONSO2Ph4+10.6NH338(41)EtNH3RNH2i-Pr2NH(36THF))NH8.30NH(14.7)R=Me(17

7、.3)i-Pr+H11.052N2TMS2NH26(THF)(30)Ph(15.0)Et+H10.75(9.00)PhNH(30.6)OO3N2PhN+H4.6(3.6)Ph(25.0)AcPROTONATEDHETEROCYCLES32NH2NH(17.9)PhN+(Me)NCNH2(16.9)N2H5.20(2.50)(12)(estimate)+SULFONAMIDEDBU+Ph2NH20.78NH(44)NMeH2-napthal-N+H4.16MeMeSO(17.5)32NH2DMAPH

8、2NN+H38.12TMPNH(37)PhSO(16.1)++2NH2Me2NNH9.2NH6.95+HNHONH35.96MeMeCF3SO2NH26.3(9.7)QuinuclidineN+H11.0(9.80)H2NN(26.5)RMeSO2NHPh(12.9)+NHAMIDES&CARBAMATESGUANIDINIUM,MorpholineON+H8.36HYRDAZONES,-IDES,&-INESR2O+NH2R=H(PPTS)5.21(3.4)N-Memorphol