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GC-Estimate v1.15 [Download]
Draw 2-D Chemical Structures as easily as you would put Lego blocks together. Atoms and groups are placed on a grid with point-and-click simplicity and flexibility. Available connections are always visible and moveable.
No need to try to divide a molecule to its component groups for each Group Contribution Method; it is done automatically for you. No need to look up each Group’s value, it is retrieved and use to estimate the physical properties you need.
The results of the calculations are stored in the same chemical’s document so they are always available.
As you build your library, you can search your chemical documents for a given structure, part of a structure, or any text information you included in the document.
You are never in the dark as to how GC-Estimate does its calculations. For each method, you can always walk through and see how the structure was analyzed and what the parameters used were. A warning is issued if a part is not supported by a method.
Build molecules with a LEGO like drawing interface that allows you to build any structure without regard to the estimation method you are going to use. GC-Estimate then allows you to predict the physical properties of organic chemicals based on their structure. GC-Estimate can automatically analyze a structure and produce the appropriate groups for the Group Contribution method you choose. It is able to calculate the properties of a structure using one of the methods it supports. The Calculate menu commands will automatically perform the appropriate analysis before commencing with the calculation. The output is written to the Text Window Pane from where it can be printed or copied to other applications using the Windows clipboard. The time you invest in entering a structure is preserved. As more methods are added and current ones improved, future versions of GC-Estimate will use your existing Easy C Base files, thus preserving your investment. Other products that use the standard Easy C Base interface and files will also be able to access files you create with GC-Estimate. For a description of currently supported methods and properties that can be estimated, see below: Joback's Method: Normal Boiling Point, Freezing Point , Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of Formation, Gibbs Energy of Formation, Enthalpy of Vaporization, Enthalpy of Fusion, Heat Capacity, Liquid Viscosity. Fedors' Method: Molar Volume, Cohesive Energy, Density, Solubility Parameter.