Viewing the Chemical Properties Window

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To view predicted properties for a selected structure:

1. Select the structure to analyze.

2. From the View menu, choose Show Chemical Properties Window.

The Chemical Properties window appears.

The following basic values are displayed.

Property	Description
Boiling Point	The boiling point for the structure. Reported in Kelvin at 1 atm.
Melting Point	The melting point for the structure. Reported in Kelvin at 1 atm.
Critical Temperature	The temperature above which the gas form of the structure cannot be liquefied, no matter the applied pressure (Tc). Reported in Kelvin.
Critical Pressure	The minimum pressure that must be applied to liquefy the structure at the critical temperature (Pc). Reported in bars.
Critical Volume	The volume occupied at the compound's critical temperature and pressure (Vc). Reported in cm3/mol.
Gibbs Energy	The Gibbs free energy, DG, for the structure. Reported in kJ/mol at 1 atm and 298.15K.
Henry's Law	The inverse of the logarithm of Henry's law constant [-log (H)] (no units).
Heat of Formation	The heat of formation, DHf, for the structure. Reported in kJ/mol at 1 atm and 298.15K.
CLogP	The calculated n-octanol/water partition coefficient (log Pow).
CMR	The calculated Molar Refractivity

NOTE: The CLogP and CMR algorithms incorporated in ChemDraw are licensed from BioByte Corp, and have been extensively tested and peer-reviewed as providing highly accurate results. The values produced by these algorithms in ChemDraw should be exactly the same as values produced by the standalone CLogP and CMR applications from BioByte.
For further information about CLogP and CMR, please refer to the BioByte web site at:
http://www.biobyte.com
and to the manuals for ClogP and CMR at:
http://clogp.pomona.edu/medchem/chem/papers/14-clogp.html
and
http://clogp.pomona.edu/medchem/chem/papers/13-cmr.html

To paste the basic properties into your document:

• Click Paste.

To create a report and view results for other fragmentation methods including the Broto, Crippen, Viswanadhan, Joback, and Joback/Stein methods:

• Click Report.

When you create a report, a detailed list of information used for performing the calculation is shown in a text file. The list includes additional properties and literature references used to perform the calculation.