pKa for Glycerol and other alcohols

Hello

I'm new to ChemAxon.  I've been looking for the pKa of different 3-carbon alcohols, like Glycerol.  I have not been able to find the second and third dissociation constant for glycerol anywhere.  When I searched for glycerol in chemicalize.org, I found it has all 3 dissociation constants, but the problem is the first one (which is easily found in literature) is not correct.  Also, it says the first dissociation constant is for the secondary OH group, when I always thought it was for one of the terminal OH groups.

The literature value for pKa1 is 14.15

I would like some info on the method(s) used to calculate these values, or help in finding correct values.

 

Thanks

Let me apologize for the very slow response time. It is due to a technical problem.

Please find here detailed description about the method.

http://www.chemaxon.com/marvin/help/calculations/pKa.html

 

The literature value for pKa1 is 14.15. The calculated value is: 13.61

What is the level of accuracy that you expect? 

 

Thank you,

Miklos