March 28, 2024, 09:24:55 AM
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Topic: LogD Values for PAH's  (Read 672 times)

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Offline Haryvr

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LogD Values for PAH's
« on: April 12, 2020, 10:59:24 AM »
Hi all,

I've been combing the internet for LogD values for:

Dibenzofuran
Dibenzothiophene
Carbazole
2-Phenylphenol

I haven't had any luck for hours now and am wondering if someone knows them?

Thanks in advance!

Offline pgk

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Re: LogD Values for PAH's
« Reply #1 on: April 13, 2020, 10:24:29 AM »
logD values depend on the pH and can be calculated by application of the logP value in the Henderson-Hasselbalch equation for a specific pH value. You can try by your own.
Anyway, logD values of many compounds at selected pH values, can be found in the ChemSpider website, as follows:
<Search> the compound → e.g. <Dibenzofuran> → <Properties> → <Predicted-ACD/Labs>.
See: Partition coefficient, Wikipedia
https://en.wikipedia.org/wiki/Partition_coefficient
Henderson–Hasselbalch equation, Wikipedia
https://en.wikipedia.org/wiki/Henderson%E2%80%93Hasselbalch_equation
ChemSpider website
http://www.chemspider.com/

« Last Edit: April 13, 2020, 10:36:55 AM by pgk »

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