Scale-up Suite Help
Material Properties
What Materials are covered?
The Numero Chem materials system is focused on pharmaceutical materials and includes more than 190 solvents, over 50 gases, over 100 elements, together with information on a range of common reagents and substitutions.
What Properties are available?

Up to 59 constant properties and 15 temperature dependent properties for materials.

A full list of solvent properties is given below

 

Table 1.- List of the 15 temperature dependent properties

Liquid Density Liquid Thermal Conductivity Solid Density Vapor Thermal Conductivity Second Virial Coefficient
Liquid Heat Capacity Vapor Pressure of Liquid Solid Specific Heat Capacity Vapor Pressure of Solid Vapor Viscosity
Liquid Viscosity Heat of Vaporization Solid Thermal Conductivity Ideal Gas Specific Heat Capacity Surface Tension

 

Table 2.- List of the 59 constant properties

Short Name Critical Pressure Auto Ignition Temperature
Long Name ACS Greenness Health Heat of Sublimation
Synonym GSK Guide 2009 Flammability and Explosion Enthalpy of Formation for Ideal Gas
CAS Number Critical Volume Gibbs Energy of Formation for Ideal Gas
Hill Formula Critical Compressibility Factor Absolute Entropy of Ideal Gas
Formatted Hill Formula Melting Point at 1 atm Standard State Enthalpy of Formation
Linear Formula ACS Greenness Env (Air) Standard State Gibbs Energy of Formation
Formatted Linear Formula GSK Guide 2009 Reactivity/Stability Standard State Absolute Entropy
SMILES ACS Greenness Env (Water) Enthalpy of Fusion at Melting Point
IUPAC Identifier Triple Point Temperature Net Standard Enthalpy of Combustion
InChI Key ACS Greenness Env (Reactivity/Stability) Acentric Factor
Solvent Family GSK Guide 2009 Life Cycle Score Radius of Gyration
Molar Mass Triple Point Pressure Solubility Parameter
Relative Van der Waals Volume, R Normal Boiling Point Dipole Moment
Relative Van der Waals Surface Area, Q Liquid Molar Volume Van der Waals Reduced Volume
Solvent Class Flash Point Van der Waals Surface Area
GSK Guide 2009 Solvent Class Lower Flammability Limit % Refractive Index
Critical Temperature Lower Flammability Limit Temperature Parachor
ACS Greenness Safety Upper Flammability Limit % Dielectric Constant
GSK Guide 2009 Waste Upper Flammability Limit Temperature
       
How can I use it?

Searching for the Critical Temperature for ethyl lactate:

Type ethyl lactate in the textbox and select it. In the next textbox below, type in Critical Temperature. A sample output is shown below:

Searching for the Liquid Specific Heat Capacity for n-heptane at 25 C:

Type in heptane (or n-heptane) in the first text box. In the next textbox below, type in the physical property that you want to search (in this case Liquid Specific Heat Capacity). To the right of this textbox, type in the Temperature that you want (in this case).

Finding the vapor pressure for THF at 25C:

Type in the name THF in the first textbox. In the next section, check the box that is located to the right of Temperature. This will list all the temperature dependent properties. Look down the list of temperature dependent properties, until you find the required value (in this case the Vapor Pressure of Liquid).

 

All values returned by the solvent properties can be written back to the current document or worksheet (at the current position) by clicking on either the Write with Details or Write Value buttons. The former give a table output (shown below) whereas the Write Value option just inserts the value into the document.

Solvent Property Value Unit
Ethyl acetate Liquid Density 893.613 kg/m3

There is another option to 'Write Structure' that inputs the structure of the solvent into the worksheet or document. The number of decimal places can be modified using the decimal place roller .

   

 

 

 


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