Enter a chemical formula, and ChemTrix calculates:
As great as the iPhone's built-in keyboard is, it's not ideal for entering chemical formulae. Most element symbols require two key presses for the individual letters and another for correct capitalization. For a given element, the keyboard is crowded with characters you don't need, and the touch targets are small. There's also the constant need to switch between alpha and numeric keyboard views.
These factors make entering formulae with the iPhone's built-in keyboard slow and error-prone. And yet this is the method that typical chemistry apps force you to use.
ChemTrix is different. It's custom-built from the ground up to make entering formulae as quick, simple, and accurate as possible with the minimum of key presses. ChemTrix features dedicated buttons for the seven most common "organic" elements (C, H, N, O, P, S, and Cl) as well as for the digits 0-9 and brackets. So, each element is a single tap and there's never any switching between different keyboard views. ChemTrix gets out of the way and lets you focus on your chemistry.
ChemTrix doesn't force you to live in a world of strict empirical formulae; it understands natural chemical syntax, including groups and nested parentheses. For example, enter C12H27P for tributylphosphine, or (Me(CH2)3)3P, or Bu3P – whichever you prefer. ChemTrix is pre-programmed with over two dozen common organic groups ranging from simple alkyl and aryl subsituents like Me, Et, and Ph, to protecting groups, like MOM and BOC. Swipe from right to left anywhere on the calculator, then tap the "Groups" tab at the bottom of the screen. You'll be presented with an alphabetical list of built-in groups. Tap any one of these to insert it into your current formula.
The calculator also provides quick access to common organic groups by overloading the element buttons. Tap "Groups" and the C, H, N, O, P, S, and Cl buttons become Me, Et, Pr, Bu, Ph, Bn, and Bz. Tap "Atoms" and they revert.
For most formulae, ChemTrix's dedicated buttons will suffice, but if you need to enter another element, simply swipe from right to left anywhere on the screen and you'll be presented with an alphabetical list of all the elements in the periodic table. Tap an element and it'll be added to your formula. ChemTrix remembers the five most recently selected elements and presents these at the top of the list under the heading "Recent" to make them easy to find later.
Tap and hold an element and you'll be shown more details about it. These include: its symbol, name, and position in the periodic table (including specific group and period numbers), its ground-state electronic configuration, its stable isotopes, classification, and physical state. If you need more information about a particular element, and you are connected to the internet, its Wikipedia entry is only single tap away.
ChemTrix remembers all the formulae you've entered and you can return to them at any time. Swipe from right to left anywhere on the calculator, then tap the "History" tab at the bottom of the screen to reveal a list of all your previous formulae in chronological order. Tap a formula, and it'll be entered back into the calculator. Swipe a formula, then tap "Delete" to remove it from the history.
Construct a chemical formula with the element and number buttons, then tap "Enter." ChemTrix will display the molar mass of your formula (in g/mol) and the percent composition by mass of its constituent elements.
Swipe from right to left with two fingers anywhere on the calculator's screen, and ChemTrix will display the mass-moles-molar mass and moles-volume-concentration relationships associated with the current formula. The default quantity is 1 mol of material as a 1 M solution in 1 L; you may change any of these quantities by tapping on the appropriate cell and entering a new value; the dependent quantities will be calculated for you.
You may also change the units of any of these quantities by tapping the "Units" button in the top right-hand corner.
Scroll down to the bottom of this screen and you'll see the exact (monoisotopic) and most probable masses of the current formula, together with its isotopic mass distribution. To reveal tabulated values of the masses and abundances associated with each peak, simply tap the mass distribution pattern.
If there's anything about ChemTrix that doesn't work quite right, or as expected, please file a bug report with us and we'll fix it as soon as possible. If you'd like to suggest new features that would make ChemTrix better for you, get in touch. We're always happy to learn from our users.
Reach us by email at firstname.lastname@example.org.
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