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Author: Subject: Looking for an online resource that contains large amounts of solubility data
SuperOxide
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biggrin.gif posted on 12-1-2023 at 19:37
Looking for an online resource that contains large amounts of solubility data


I have a new idea for a web app, basically a quick search for if a certain chemical is soluble in a certain solvent (or range of solvents).

Obviously, the hard part is going to be getting the large amount of solubility data. I think getting the solubility data of [pretty much anything] in water will be easy since Wikipedia usually displays the water solubility in its own row with the first cell containing "Solubility in water", then the next sibling cell has the solubility in a standardized format:



So that kinda takes care of solubility data in water. But does anyone know of a source that has useful solubility data in a format that I could use?

The trick is to find an online resource that:

  1. Has a lot of data
  2. Makes it possible to search that data
  3. Can easily be crawled with a script
  4. Shows the solubility data in a standardized format that can be programmatically targeted using something like Regex

Unfortunately, a lot of the resources I know of that have solubility "data" in a standardized format that would be easy to crawl, don't really list off the specific data.

For example, take a look at this:



The data is just displayed as:

  1. Very soluble
  2. Easily soluble
  3. Soluble
  4. Sparingly soluble
  5. Slightly soluble
  6. Very slightly soluble
  7. Practically insoluble

Which honestly isn't very specific. Even though each of those terms are assigned a solubility range, it's just not specific enough.

I think crawling Pubchem would be a nightmare. Every time I look for solubility data in Pubchem, it looks like they literally just copy/paste whatever content is on the source page, so it's quite different based on where it was pulled from.

Any input or advice would be greatly appreciated.

Thanks!
-J

[Edited on 13-1-2023 by SuperOxide]
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DraconicAcid
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[*] posted on 12-1-2023 at 21:14


I downloaded of copy of this somewhere:
https://books.google.ca/books/about/Solubilities_of_Inorgani...




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SuperOxide
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[*] posted on 12-1-2023 at 21:55


Quote: Originally posted by DraconicAcid  
I downloaded of copy of this somewhere:
https://books.google.ca/books/about/Solubilities_of_Inorgani...

Unfortunately, Zlib has been brought down by the overloards we call Government. Do you think you can share that book with me?

Edit: I just found this: Downloading it now. Hopefully its legit. https://ia802608.us.archive.org/4/items/2ndsolubilitieso00se...

[Edited on 13-1-2023 by SuperOxide]
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Sulaiman
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[*] posted on 13-1-2023 at 05:02


A very useful document - thank you.

Imagine the man.years of effort that were required to obtain the data.
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yobbo II
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[*] posted on 13-1-2023 at 17:00




See the Solubility Data Series (SDS) A number of volumes with solubility data.

https://srdata.nist.gov/solubility/IUPAC/iupac.aspx

[Edited on 14-1-2023 by yobbo II]
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Sulaiman
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[*] posted on 13-1-2023 at 20:38


Another great resource - thanks.

I'm going to try to download all.




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[*] posted on 13-1-2023 at 20:46


Another database is https://chemister.ru/Database/search-en.php. It is a Russian website, but they have an English version of the database.
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SuperOxide
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[*] posted on 13-1-2023 at 22:36


Quote: Originally posted by sceptic  
Another database is https://chemister.ru/Database/search-en.php. It is a Russian website, but they have an English version of the database.

Now that looks like itll be pretty helpful... thank you!
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[*] posted on 14-1-2023 at 09:54


Quote: Originally posted by SuperOxide  
Unfortunately, Zlib has been brought down by the overloards


Just FYI, Z-Lib is still available on Tor. You can find the current address on reddit.
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[*] posted on 16-1-2023 at 20:05


Quote: Originally posted by Sulaiman  
A very useful document - thank you.

Imagine the man.years of effort that were required to obtain the data.
... un-sung heroes.

That's for damn sure. Now if only I could find a way to programmatically read it. I think it's too messy/noisy for an OCR..

Quote: Originally posted by Waffle_staffel  
Quote: Originally posted by SuperOxide  
Unfortunately, Zlib has been brought down by the overloards


Just FYI, Z-Lib is still available on Tor. You can find the current address on reddit.

nice! You know of any resources on there that would help with this?
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[*] posted on 11-2-2023 at 00:42


Hi,

There is also one chapter in the CRC Handbook of Chemistry and Physics where solubilities/densities are shown if I am not mistaken.
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