malonate pKas

User 870ab5b546

28-02-2011 19:39:37

The pKa plugin gives the following pKa values:


diethyl malonate: 13.0


diethyl methylmalonate: 14.7


diethyl ethylmalonate: 15.9


diethyl propylmalonate: 16.3


diethyl isobutylmalonate: 16.7


diethyl cyclohexylmethylmalonate: 16.9


I find it hard to believe that the pKa values of these compounds increase so dramatically with such small changes in substitution.  Can you verify?

User 851ac690a0

04-03-2011 17:52:56

Hi,


 


Yes, you are right.  I have fixed these problem. The new release can be expected soon.


Thank you.


Jozsi