Introduction Moles, javascript organic reaction calculator,a is an easy-to-access and free tool for synthetic chemists.
The software helps scientists calculate and scale up/down reagents chemical reactions including chemical structures and formulas. Furthermore, it allows users to save own reactions through OpenID login (i.e. Google and Yahoo).b
All fuctions were tested under safari (OS X 10.7.3).
Feel free to contact me if you find any bug or have suggestion.
How to use (image and text)
Read the numbered items below corresponding to the screenshot.
Note that values in yellow boxes will be calculated automatically and white boxes/texts/symbols have corresponding actions.
1. Type a title for your reaction (optional).
2. Draw structure(s) for your reaction (optional). See Scilligence Corporation JSDraw to find more about drawing.
3. Input the chemical formula of your starting compound OR write the name of your chemical (optional). You can copy and paste generated fomula(s) in the middle of screen.
4. If you input the chemical formula in 3, click '⇒' to calculate the molecular weight of your starting compound. If not, input the molecular weight of your material (mandatory).
5. Input the desired amount of starting material. Then click '⇒' to calculate the number of moles. (mandatory).
6. Click '+ reagent' button to add number of reactant, reagent or catalyst you are gong to use (optional or mandatory, depends on the reaction).c
7. Repeat steps 3-4 for your reactants or catalysts (mandatory). If you are using liquid chemicals, click '(s)' to reveal density and volume fields (solid to liquid and liquid to solid is toggle)
8. Input your desired equivalent of chemicals. i.e. type 2.0 for 2 equivalent, or type 0.05 for 5 mol%. Then click ⇐ to fill yellow fields (mandatory).
9. Repeat steps 3-4 for your product (mandatory).
10. Click '<< evaluate' button for the calculation of the theoretical amount of your product (mandatory). Note!! If your reaction is not 1:1 stoichiometric reaction, change the number of equivalent of the product (optional).
11. To save reactions on mkwak.org sever, click this button to first sign in/up.
12. Once you signed in, your saved reactions can be found here. Do not forget to sign out to save your information.
99. Have fun with your reaction! Good luck :)
a Moles is under the MIT License. Sourcecode on server is not provided for security. Saved reactions are strictly private (unless you share public links). Your reactions won't be read by anyone (including me) except legal circumstances. Only traffic will be monitored for maintenance purpose. b Keeping your OpenID safe for identification and your saved reactions are at your own responsibility. We save your nickname, encrypted OpenID only. c the maximum number of reactants is 6.
calculator v2.0 (2012-03-15) / help page v1.3 (2012-03-24) - contact for feedback.
for feedback.