Energy and environmental concerns make necessary the precise prediction of the properties and behavior of coal and related materials in energy generation and chemicals production. Middle-infrared spectroscopy (Mid-IR), a fast, non-destructive analytical method, has been used for some time for structural studies and prediction of properties. Recent studies have shown the feasibility of the use of near infrared spectroscopy (NIR) for that purpose. The spectroscopic data must be processed with chemometric methods. Advantages and limitations are explained.