Due to the advances of various methods for the prediction of toxicity of organic compounds and ionic liquids (ILs), it is necessary to review these methods for scientists and students. It is essential to compare the advantages and shortcomings of these methods. Since many organic compounds and ILs are synthesized each year, this book introduces suitable models for the assessment of their toxicities. This book reviews the best predictive methods for the prediction of toxicity of organic compounds and ILs, which were derived by in vitro or in vivo experiments. Different available quantitative structure‐toxicity relationship (QSTR) models based on various descriptors have been discussed to predict toxicity parameters such as LD50 (50% lethal dose), EC50 (the concentration of the desired IL that produces mortality of 50 percent of the bacterial population) and log(IGC50-1) (logarithm of 50% growth inhibitory concentration of T. pyriformis) of various classes of organic compounds and ILs. The reliability of these methods is compared and discussed. Each chapter contains some complimentary problems with their answers, which can improve the experience of students and researchers. The introduced subjects are suitable for advanced students in chemistry, biochemistry, medicinal chemistry, and chemical engineering.

The combustion properties of organic materials are used to assess their safety specifications. This knowledge is necessary to avoid potentially disastrous fires. The experimental determination of the combustion properties of a new organic compound is laborious and sometimes even impossible. This book describes methods for the determination and prediction of the combustion properties of organic compounds, along with some examples and exercises. This 2nd Edition includes an updated and improved presentation of the applicationnof different new models for reliable prediction of diverse aspects of flammability of organic compounds.

For a chemist who is concerned with the synthesis of new energetic compounds, it is essential to be able to assess physical and thermodynamic properties, as well as the sensitivity, of possible new energetic compounds before synthesis is attempted. Various approaches have been developed to predict important aspects of the physical and thermodynamic properties of energetic materials including (but not limited to): crystal density, heat of formation, melting point, enthalpy of fusion and enthalpy of sublimation of an organic energetic compound. Since an organic energetic material consists of metastable molecules capable of undergoing very rapid and highly exothermic reactions, many methods have been developed to estimate the sensitivity of an energetic compound with respect to detonationcausing external stimuli such as heat, friction, impact, shock and electrostatic discharge. This book introduces these methods and demonstrates those methods which can be easily applied.

This book discusses methods for the assessment of energetic compounds through heat of detonation, detonation pressure, velocity and temperature, Gurney energy and power. The authors focus on the detonation pressure and detonation velocity of non-ideal aluminized energetic compounds. This 2nd Edition includes an updated and improved presentation of simple, reliable methods for the design, synthesis and development of novel energetic compounds.

The combustion properties of organic materials are used to assess their safety specifications. This knowledge is necessary to avoid potentially disastrous fires. The experimental determination of the combustion properties of a new organic compound is laborious and sometimes even impossible. This book describes methods for the determination and prediction of the combustion properties of organic compounds, along with some examples and exercises.

In recent years, it has been important for scientists and chemical industries to introduce and develop new liquid fuels as jet fuels and propellants for propulsion purposes. Different aspects should be considered for the selection of a good candidate such as combustion performance, desired physical properties, noncarcinogenic and less toxicity. New synthetic hydrocarbon fuels with favorable combustion performance and physical properties have been considered as desirable jet fuels. They can be used in aircrafts such as military jets because of their higher volumetric energy density. A liquid-propellant rocket uses liquid propellants for propulsion. Liquid propellants should have the desirable properties of high energy density per unit mass, high specific impulse, and short ignition delays. Hypergolic propellants as important classes of liquid propellants are characterized by spontaneous reaction upon fuel and oxidizer mixing and high energy yield. Moreover, they should be relatively ignitable and have a small ignition time delay. This book reviews some efforts that have been done to introduce new candidates to replace conventional hydrazine fuels because they are acutely toxic and suspected carcinogens, costly safety precautions and handling procedures are required. This book reviews the latest advances in liquid fuels, which may be used as jet fuels and liquid propellants. Important properties for assessment of a suitable liquid are demonstrated. This book can be used for graduate students in the field of chemistry and chemical engineering. It may also be useful for scientists and researchers who work on the development of new liquid fuels with high performance as well as those that are noncarcinogenic or have less toxicity.