Wolfram Function Repository

Instant-use add-on functions for the Wolfram Language
This resource function is obsolete. Use the function ChemicalConvert instead.

Function Repository Resource:

 ChemicalConvert

Source Notebook

Convert between different quantities of a chemical

Contributed by: Wolfram Chemistry Team

ResourceFunction["ChemicalConvert"][quantity,"name",targetunit]

attempts to convert a specified quantity of the chemical "name" to the specified targetunit.

ResourceFunction["ChemicalConvert"][quantity,entity,targetunit]

attempts to convert a specified quantity of the chemical entity to the specified targetunit.

ResourceFunction["ChemicalConvert"][quantity,entity,targetunit,{parameter1→quantity1,…}]

uses the specified parameters for the conversion.

Details

Parameters supported are "Pressure" and "Temperature".
ResourceFunction["ChemicalConvert"] assumes standard temperature and pressure (293.15 K and 101325 pascals) when performing conversions. If a single parameter is specified, that value will be coupled with standard temperature (or pressure if the parameter is "Temperature") to derive a value.

Examples

Basic Examples (2) 

Calculate the number of molecules in 10 mL of water:

In[1]:=
ResourceFunction["ChemicalConvert"][Quantity[10, "Milliliters"], Entity["Chemical", "Water"], "Molecules"]
Out[1]=

Calculate the volume in cubic feet of 10 moles of helium:

In[2]:=
ResourceFunction["ChemicalConvert"][ Quantity[10, "Moles"], "Helium", ("Feet")^3]
Out[2]=

Scope (3) 

Calculate the equivalent amount of 10 mL of water at a nonstandard temperature and pressure:

In[3]:=
ResourceFunction["ChemicalConvert"][Quantity[10, "Milliliters"], Entity["Chemical", "Water"], "Moles", {"Temperature" -> Quantity[450, "Kelvins"], "Pressure" -> Quantity[2, "Bars"]}]
Out[3]=

Calculate the volume of 5 moles of mercury:

In[4]:=
ResourceFunction["ChemicalConvert"][Quantity[5, "Moles"], Entity["Element", "Mercury"], "Liters"]
Out[4]=

Calculate the mass of a trillion molecules of caffeine:

In[5]:=
ResourceFunction["ChemicalConvert"][Quantity[10^12, "Molecules"], Entity["Chemical", "Caffeine"], "Grams"]
Out[5]=

Possible Issues (2) 

If the molar mass of a chemical entity cannot be determined, ChemicalConvert remains unevaluated:

In[6]:=
ResourceFunction["ChemicalConvert"][Quantity[2, "Moles"], Entity["Chemical", "Polypropylene"], "Grams"]
Out[6]=

If properties of a chemical at a nonstandard temperature and pressure are unavailable, ChemicalConvert remains unevaluated:

In[7]:=
ResourceFunction["ChemicalConvert"][Quantity[1, "Liters"], Entity["Chemical", "1Butanol"], "Moles", {"Temperature" -> Quantity[400, "Kelvins"]}]
Out[7]=

Version History

  • 1.0.0 – 17 June 2021

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