title: Approximate prediction of melting point of nitramines, nitrate esters, nitrate salts and nitroaliphatics energetic compounds.
abstract: A simple new procedure is introduced to predict melting point of selected class of energetic compounds containing nitramines, nitrate esters, nitrate salts and nitroaliphatics energetic compounds. The number of nitrogen and oxygen as well as the number of nitramine group and the contribution of some specific functional groups would be needed in the new method. Energetic compounds should contain at least one of the functional groups including N-NO(2), C-ONO(2) or nonaromatic C-NO(2). Calculated melting point for 33 nitramines, nitrate esters, nitrate salt and nitroaliphatics are compared with experimental data. Predicted melting points have average deviation of 5.4% for these energetic compounds.
authors.affiliation: Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr, P.O. Box 83145/115, Islamic Republic of Iran. mhkir@yahoo.com
authors.forename: Mohammad Hossein
authors.initials: MH
authors.lastname: Keshavarz
mesh_terms: D000814:Aniline Compounds / Q000737:chemistry*; D004952:Esters / Q000737:chemistry*; D009566:Nitrates / Q000737:chemistry*; D009574:Nitro Compounds / Q000737:chemistry*; D009578:Nitrobenzenes / Q000737:chemistry*; D013816:Thermodynamics; D044366:Transition Temperature
chemical_list: D000814:Aniline Compounds; D004952:Esters; D009566:Nitrates; D009574:Nitro Compounds; D009578:Nitrobenzenes; C015384:nitramine