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Topic: how to calculate the Pka values experimentally?  (Read 12587 times)

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Offline organic

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how to calculate the Pka values experimentally?
« on: January 15, 2008, 10:54:45 PM »
I need to calculate the Pka of an organic base.
Is there any method by which we can calculate Pka value experimentally? say for example Pka of N-methyl imidazole.
Thanks in advance for your help.

Offline Borek

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Re: how to calculate the Pka values experimentally?
« Reply #1 on: January 16, 2008, 03:15:32 AM »
No idea what you mean by "calculate experimentally". pKa values are either calculated from the molecule structure (difficult task, I have never seen satisfactory description of the method) or determined experimentally (most often using Henderson-Hasselbalch equation).
« Last Edit: January 16, 2008, 03:39:51 AM by Borek »
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Offline AWK

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Re: how to calculate the Pka values experimentally?
« Reply #2 on: January 16, 2008, 06:48:50 AM »
For the case of organic compounds there are possibility to estimate some pKa values
AWK

Offline organic

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Re: how to calculate the Pka values experimentally?
« Reply #3 on: January 16, 2008, 09:51:56 PM »
I was just looking for an experimental procedure to calculate Pka value
thanks for the reply

Offline AWK

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Re: how to calculate the Pka values experimentally?
« Reply #4 on: January 17, 2008, 01:17:29 AM »
Experimental procedure means measurements
AWK

Offline Kryolith

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Re: how to calculate the Pka values experimentally?
« Reply #5 on: January 17, 2008, 06:37:38 AM »
pKa values are (classically) determined by titration. Have a look at the titration curve of CH3COOH with NaOH.

http://newarkbioweb.rutgers.edu/bio301s/Lab%202-2.gif
« Last Edit: February 06, 2008, 02:57:59 AM by Borek »

Offline organic

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Re: how to calculate the Pka values experimentally?
« Reply #6 on: January 17, 2008, 11:41:15 PM »
thanks very much

Offline organic

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Re: how to calculate the Pka values experimentally?
« Reply #7 on: February 05, 2008, 10:30:56 PM »
Experimental procedure means measurements

if i have N-methyl imidazole hydrochloride salt, how do i calculate the Ka value? and how do i know what buffer do i need? can i use NaOH solution for titration?

Offline AWK

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Re: how to calculate the Pka values experimentally?
« Reply #8 on: February 06, 2008, 01:56:31 AM »
Procedures for an exact determination of pKa are quite complex. But aproximate pKa you can calculate from titration. This subject was discussed many times on this forum. Borek is especially competent on this subject.
« Last Edit: February 07, 2008, 01:13:22 AM by AWK »
AWK

Offline optimusprime

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Re: how to calculate the Pka values experimentally?
« Reply #9 on: February 06, 2008, 04:28:21 PM »
Isoelectric focusing?

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