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Group Additivity Based Estimates

This facility provides estimates of physical property data using the group additivity methods. Currently the Structures and Properties model is used for this purpose.

Group additivity methods compute estimates based on a molecular structure. To compute an estimate please follow the following steps to upload a mol file (v2000) of the structure you wish to compute estimates for. If you are using this facility for the first time, please read the notes provided below.

  1. Select the desired units for thermodynamic data: