Scale-up Suite Help
Catalist
What is Catalist?

New in Dynochem 5.2, Catalist opens a task pane that allows materials and properties to be defined or retrieved from the materials system or web services (e.g. PubChem), inserted in the document and saved with the document for later re-use.

How can I use it?

For each component of a reaction (solvent, gas, reagent, element), a series of properties can be obtained by searching on the required component. Below is a list that contains the properties for each component:

 

Elemental Properties

Solvent Properties

Gas and substrate Properties

Name

Relative atomic mass

Structure

Name

Symbol

Key Isotopes

CAS Number

CAS Number

CAS Number

Atomic radius (non-bonded (A)

Hill Formula

Hill Formula

Group

Electron affinity

Linear Formula

Formatted Hill Formula

Period

Covalent radius

Formatted Linear Formula

Linear Formula

Block

Electronegativity

SMILES

Formatted Linear Formula

Atomic Number

1st Ionization energy (kJ/mol)

IUPAC Identifier

Molar Mass

State at 20 C

Specific Heat Capacity (J/kg.K)

Solvent Family

Synonym

Melting Point

Van der Waals radius

Molar Mass

Boiling Point

Electronic Shell

Synonym(s)

Density (g/ml) at 20 C

 

An additional feature to this tool, is that further properties can be added to any reagent/gas/solvent and saved by the user for future use or insertion into the document.

There are two ways that a user can gain the optimum usage from it. Firstly, the user can type in any solvent/or reaction component as shown below, see Benzaldehyde.

Once Benzaldehyde is typed two options will be appear as long as the substance is in the database, one to search the PubChem database for Benzaldehyde and one to search the database. If it is not in the database only the PubChem option will appear.

    

Once you select the PubChem option, the following list of properties will appear.

 

If the database option was selected, the following would appear:

 

To insert the required property, simply right click on the property and scroll down the context menu. There are three options:

1.       Insert will insert the property into your document at the position of the cursor

2.       Move up and down will move the selected property up and down the property list respectively.

3.       Delete property will remove the property from the list.

For each component of a reaction (solvent, gas, reagent, element), a series of properties can be obtained by searching on the required component. Below is a list that contains the properties for each component:

 

Elemental Properties

Solvent Properties

Gas and substrate Properties

Name

Relative atomic mass

Structure

Name

Symbol

Key Isotopes

CAS Number

CAS Number

CAS Number

Atomic radius (non-bonded (A)

Hill Formula

Hill Formula

Group

Electron affinity

Linear Formula

Formatted Hill Formula

Period

Covalent radius

Formatted Linear Formula

Linear Formula

Block

Electronegativity

SMILES

Formatted Linear Formula

Atomic Number

1st Ionization energy (kJ/mol)

IUPAC Identifier

Molar Mass

State at 20 C

Specific Heat Capacity (J/kg.K)

Solvent Family

Synonym

Melting Point

Van der Waals radius

Molar Mass

Boiling Point

Electronic Shell

Synonym(s)

Density (g/ml) at 20 C

       

 

 

 


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