A comprehensive dataset, AFProp(N, M), is utilized in this study as a training dataset, where N represents the number of fuel properties, and M denotes the number of organic compounds with known properties. Focusing on two fundamental properties (N=2), NHOC and density (ρ). For NHOC properties, the dataset AFProp(1, M=452) compiles data on up to 452 pure hydrocarbons, encompassing paraffins, olefins, naphthenes, and aromatics, sourced from reference . This dataset incorporates NHOC values obtained from experimental measurements and calculations drawn from the American Petroleum Institute -Technical Data Book (API-TDB) . Additionally, the dataset AFProp(2, M=486) comprises density (ρ)