The molecular structure data for 1,2-octanediol include a molar refractive index of 42.14, a molar volume of 155.9 m³/mol, an isotropic specific volume of 381.2, a surface tension of 35.7 dyne/cm, and a polarizability of 16.70.
Computational chemistry parameters show a hydrophobic parameter (XlogP) of 1.8, 2 hydrogen bond donors, 2 hydrogen bond acceptors, 6 rotatable bonds, a topological polar surface area (TPSA) of 40.5, 10 heavy atoms, 0 surface charge, a complexity of 64.3, 0 isotopic atoms, 0 defined atomic stereocenters, 1 uncertain atomic stereocenter, 0 defined bond stereocenters, 0 uncertain bond stereocenters, and 1 covalent unit.
