The chemical thermodynamics and diamagnetism of n-alkanes. Calculations up to n-C110H222 from quantum chemical computations and experimental values

Free energies, enthalpies of formation, enthalpies of combustion, and entropy of n-alkanes have been determined using quantum-chemical computations. After determination of the scaling factor between experimental results vs ab-initio computations, we are able to give various values corresponding to these thermodynamic properties up to n-C110H222. The same procedure is applied concerning data of diamagnetism of n-alkanes up to n-C30H62.

Automated summary

The passage describes the process of determining the thermodynamic properties and diamagnetism data of n-alkanes using quantum-chemical computations, and provides corresponding values.