To predict octane value of alkyl-substituted aromatic hydrocarbons series - the components of gasoline of catalytic reforming processes a quantitative structure-property relationship model (QSPR) was offered. The model connects octane value of aromatic hydrocarbons with topological indexes of molecular graphs: Wiener index, Randic index and sum of squares of eigenvalues of adjacency matrix. Multivariate regression models adequately describe the octane value of aromatic hydrocarbons. Mean absolute and percentage error for octane value for a series of 30 compounds was 2.6 units and 2.6% respectively for the research method. Proposed model may be used to predict the octane number of aromatic hydrocarbons, the components of gasoline of reforming.

Topics
Gasoline, Graph theory, Organic compounds, Catalytic reforming, Regression analysis
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