Prediction of Heat and Free Energies of Organic Compounds

1949 ◽  
Vol 41 (5) ◽  
pp. 1070-1076 ◽  
Author(s):  
J. L. Franklin
1992 ◽  
Vol 70 (4) ◽  
pp. 1042-1054 ◽  
Author(s):  
J. Peter Guthrie

Group contributions have been determined allowing the calculation of free energies of formation in aqueous solution for organic compounds containing carbon, hydrogen, and oxygen. The system works well for monofunctional compounds. The available literature data for 198 compounds can be accommodated using 79 parameters with an rms deviation of 0.74 kcal/mol.


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