title: Simple method for reliable predicting flash points of unsaturated hydrocarbons.
abstract: This work introduces a simple method for prediction of the flash point of different classes of unsaturated hydrocarbons including alkenes, alkynes and aromatics. Elemental composition is used as a core function that can be revised for some compounds by a correcting function. The predicted flash points for a data set of 173 unsaturated hydrocarbons are in good agreement with the measured values such that the root mean square (rms) error is 9 K. The estimated flash points for 76 furthers compounds have been compared with two new group additivity methods, where these methods can be applied, that the new method gives a lower rms value. It is shown that the new model can easily be used for any unsaturated hydrocarbons with complex molecular structures.
authors.affiliation: Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr PO Box 83145/115, Islamic Republic of Iran. mhkeshavarz@mut.ac.ir
authors.forename: Mohammad Hossein
authors.initials: MH
authors.lastname: Keshavarz
authors.forename: Majid
authors.initials: M
authors.lastname: Ghanbarzadeh
mesh_terms: D005390:Fires; D006838:Hydrocarbons / Q000737:chemistry*; D015203:Reproducibility of Results
chemical_list: D006838:Hydrocarbons