10/14/2002 for files of constants in: CMC1002S.TCM CMC1002E.TCM CMC1002S.CCM CMC1002E.CCM [constants.zip]

PLEASE NOTE: these constants, though from the NIST database, have been adjusted to the MAXC format of 20C 0.1N and 2nd metals constant being expressed in the [MHL]/[M][HL] form.

HYDROGEN CONSTANTS
  H1 H2 H3 H4 dH1 dH2 dH3 dH4
ADA 6.71 2.3 1.59   -2.9      
AMP-5 6.202 3.854     0.8 -4    
ADP 6.374 3.924     0.6 -4    
ATP 6.476 4.039     0.5 -3.6    
BAPTA 6.372 5.491 3.26 2.2 -4 -3     Potassium salt unless otherwise noted
CITRATE 5.696 4.363 2.919   0.46 -0.75 -1.08  
DiBrBAP 5.6 4.57 1 1           =GUESS green = checked
EDTA 10.262 6.186 2.677 2.004 -5.6 -4.2 1.5 0.3
EGTA 9.476 8.866 2.738 1.913 -5.9 -5.8 -2.6 -0.4   =sodium
HEDTA 9.955 5.423 2.612 1.6 -6.6 -3.1 1.1  
NTA 9.719 2.521 1.811 0.983 -4.6 0.2 0.4 2   =perchlorate
TPEN 7.194 4.866 3.353 2.958 -5.8 -4.2 -3.8 -5.6
blue = calculated
CHELATOR-METAL CONSTANTS
  Al3 Ba2 Ca2 Cd2 Cu2 Fe2 Mg2 Sr2 Zn2 Ag1 Co2 Fe3 Mn2 Ni2 Pb2
ADA     4.01   9.68   2.47 2.99 7.3   6.91   4.93 8.02 8.4
                               
AMP-5 6.17 1.69 1.825   3.265   1.895 1.75 2.72   2.551   2.35 2.708  
                               
ADP 7.82 2.36 2.839   5.88   3.211 2.54 4.22   4.173   4.058 4.209  
  4.79 1.34 1.469   2.62   1.555 1.41 2.04       1.89 2.31  
ATP 7.92 3.18 3.828 5.32 6.428   4.143 3.43 5.169   4.601   4.764 4.92  
  4.99 1.88 2.144 3 3.651   2.299 2.08 2.695   2.66   2.65 2.79  
BAPTA     6.97       1.77                
                               
CITRATE 8.04 2.8 3.533 3.673 5.9 4.4 3.493 2.99 4.943   5 11.466 3.81 5.261 4.51
  5.16 1.48 2.09 2.188 3.593 2.9 1.854 1.72 2.978   3.02 6.7 2.3 3.214 3.05
DiBrBAP     5.96       1                
                               
EDTA 16.254 7.95 10.734 16.622 18.89 14.358 8.755 8.779 16.566 6.669 16.509 25.145 13.955 18.502 18.172
  8.652   3.652 9.269 11.757 6.84 2.343 2.447 9.304 2.417 9.275 16.183 6.812 11.366 10.71
EGTA 13.9 8.419 10.973 16.693 17.845 11.873 5.223 8.503 12.661 6.88 12.343 20.5 12.31 13.555 14.773
  8.394 4.253 5.307 10.217 12.729 6.867 3.377 4.357 8.145 4.914 7.817   6.774 10.119 10.337
HEDTA 14.299 6.275 8.189 13.837 17.525 12.283 6.965 6.873 14.713 6.67 14.589 19.7 11.173 17.237 15.765
  6.484     6.182 10.02 5.128         6.874     9.822 8.02
NTA 11.6 4.836 6.465 9.818 13.03 8.82 5.454 5.004 10.67 5.161 10.38 15.86 7.448 11.54 11.53
  3.781       4.911         2.442   7.041     4.261
TPEN       16.329 20.489 14.609     15.589 11.289 16.623   10.28 21.603 14.048
                               
dH values:
  Al3 Ba2 Ca2 Cd2 Cu2 Fe2 Mg2 Sr2 Zn2 Ag1 Co2 Fe3 Mn2 Ni2 Pb2
ADA     -2   20.0/0.1   5 -1 20/0.1   20/0.1   20/0.1 20/0.1 20/0.1
                               
AMP-5 25/0.1 25/0.1 -1   -6.2   1.8 25/0.1 25/0.1   -1.1   2.2 -2.4  
                               
ADP 25/0.1 25/0.1 2.3   25/0.1   3.7 25/0.1 25/0.1   2.8   3.2 1.5  
  25/0.1 25/0.1 1.5   25/0.1   1.8 25/0.1 25/0.1       25/0.1 25/0.1  
ATP 25/0.1 25/0.1 3.2 25/0.1 0.8   4.4 25/0.1 3.9   4.5   4.3 25/0.1  
  25/0.1 25/0.1 1.9 25/0.1 -3.5   2.3 25/0.1 1.1   25/0.1   25/0.1 25/0.1  
BAPTA     20/0.1       20/0.1                
                               
CITRATE 25/0.1 25/0.1 -2 2 25/0.1 20/0.1 2 25/0.1 2   20/0.1 -6.9 25/0.1 4 25/0.1
  25/0.1 25/0.1 -1 0 2 25/0.1 0 25/0.1 0   20/0.1 25/0.1 25/0.1 3 25/0.1
DiBrBAP     5.53                        
                               
EDTA 12.6 -5 -6.1 -9.1 -8.2 -4 3.4 -4.1 -4.7 -7.5 -4.1 -2.7 -4.6 -7.5 -13.1
  -3.9   20/0.1 -0.4 -2 -1 20/0.1 20/0.1 25/0.1 20/0.1 -1.9 -0.1 -1.2 -1.8 20/0.1
EGTA 25/0.1 -8.9 -8.4 -14.8 -11 -5.2 5.2 -6 -4.3 20/0.1 -2.8 25/0.1 -8.2 -3.8 -13.2
  25/0.1 20/0.1 20/0.1 20/0.1 20/0.1 20/0.1 20/0.1 20/0.1 20/0.1 20/0.1 20/0.1   20/0.1 20/0.1 20/0.1
HEDTA 9 -5.4 -6.5 -10.3 -9.4 -6 3.4 -5.2 -8.4 25/0.1 -6.5 25/0.1 -5.2 -10.3 -12.6
  25/0.1     25/0.1 25/0.1 -1         25/0.1     25/0.1 25/0.1
NTA 25/0.1 -1.44 -1.36 -4 -1.9 20/0.1 4.3 -0.54 -0.9 -6.3 -0.1 3.2 1.3 -2.6 -3.8
  25/0.1       25/0.1         25/0.1   25/0.1     25/0.1
TPEN       -18.8 -22.8 -18     -14.8 -18 -17.2   -11.4 -23.6 -19.2