Objective:

The current work aimed to predict some physical-chemical properties such us acentric fator (ω), critical temperature (Tc), critical volume (Vc), and critical pressure (pc) of pure fatty acids and triglycerides.

Methodology:

Models and equations available in the literature have been adopted as a nonlinear modeling technique and computational approach based on a few relevant molecular descriptors. A set of scarcy data points was used to check the used models and equations, including some points for ebulition temperature (Teb) and Tc, for acids with long carbon chain.

Results and discussions:

The results of the models showed good precision, confirmed by the low values of relative deviation ranging from 0.25 to 0.87 % for Teb estimation for the fatty acids, and the low values of calculated errors, that ranged from 0.25 to 13.4 % for the best models for estimation of Tc and pc for fatty acids. Regarding the tryglicerides, the authors recommend that experimental data must be obtained in advance to have a reliable evaluation.

Conclusion:

The models provided satisfactory results, outperforming most of the models mentioned in the literature. This work approach can be applied in petroleum engineering and other related fields such as biofuels to accurately determine the acentric factor, ebullition temperature and critical properties of pure compounds which have taken part of hydrolisis reaction of Macaúba oil and others biofuels.