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A novel approach for assessment of thermal stability of organic azides through prediction of their temperature of maximum mass loss

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Abstract

Organic azides contain covalent azide groups, which can decompose with the slightest input of energy from heat and light. A novel, reliable and simple method is introduced to predict the temperature at which maximum of mass loss for organic azides (T dmax) was occurred. It requires only molecular structure of a desired organic azide without using computer codes and complex molecular descriptors. The new model is based on the presence of several molecular fragments as well as the contribution of the number of hydrogen and nitrogen atoms. Experimental data of 53 organic azides containing various molecular structures are used to derive new correlation. Statistical parameters including root mean squared deviation, mean absolute error and maximum of errors of the new model are 8.49, 6.99 and 18.11 K, respectively, which confirm high reliability of the new method. The method has been tested for further five organic azides including complex molecular structures, which give good results.

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Acknowledgements

We would like to thank the research committee of Iran University of Science and Technology for supporting this work.

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Authors and Affiliations

  1. Department of Chemistry, Malek-Ashtar University of Technology, P.O. Box 83145/115, Shahin-Shahr, Islamic Republic of Iran

    Mohammad Hossein Keshavarz, Ali Mousaviazar & Mehran Hayaty

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  1. Mohammad Hossein Keshavarz
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  2. Ali Mousaviazar
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  3. Mehran Hayaty
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Correspondence to Mohammad Hossein Keshavarz.

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Keshavarz, M.H., Mousaviazar, A. & Hayaty, M. A novel approach for assessment of thermal stability of organic azides through prediction of their temperature of maximum mass loss. J Therm Anal Calorim 129, 1659–1665 (2017). https://doi.org/10.1007/s10973-017-6313-5

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  • DOI: https://doi.org/10.1007/s10973-017-6313-5

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