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Chemistry Forums for Students => Organic Chemistry Forum => Topic started by: Haryvr on April 12, 2020, 10:59:24 AM

Title: LogD Values for PAH's
Post by: Haryvr 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!

Title: Re: LogD Values for PAH's
Post by: pgk 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/