A while ago I introduced my Reagent Table widget (and desktop gadget) I created using the widget builder on Wolfram|Alpha. I’ve found the widget to be quite handy for quickly accessing physical properties of reagents from my computer. I’ve embedded the widget on my personal homepage, so it’s really quite straightforward to locate key physical properties as I set up a new reaction.
That’s all well and good… but finding the data is only half the time-consuming problem. The other time taker is calculating out the rest of the values in the reagent table. If my previous posts haven’t made it clear, I really like letting technology help me save valuable time.
So I made a companion widget to augment the capabilities of the first Reagent Table Widget. This one allows you to enter an amount (either in grams, mmol or mL) of a substance and it will calculate out the rest of the values you would normally calculate: grams, mmol and/or mL. Scroll down, and the same basic properties are listed (MW, d, BP, etc), allowing you to fill in the rest of the needed values. Unfortunately, I cannot seem to have the CAS number included in the output. The other widget has your CAS number information.
The coolest addition to this widget is the ability to scale your amount by, oh… say, the number of equivalents you’re using. If you’ve calculated that you’re using 2.37 mmol of your starting material, and you need to use 1.5 equivalents of the next reagent, you can type in 1.5 * 2.37, select mmol, type in the molecule, and it will calculate your values based on 3.555 mmol!
The widget is below. Again, feel free to embed it wherever you need it to be – blog, iGoogle, personal home page, wherever . Hover over the plus sign in the bottom right corner and click ‘embed this widget.’
I’m unable to create desktop gadget versions of this one. It seems the problems mentioned with the previous desktop widgets are exacerbated when there’s more than one input field. The submit functionality is totally broken. I’ve submitted a bug report and if it gets fixed, I’ll post the desktop gadgets.