Input interpretation
octane | propane-2, 2-d 2
Chemical names and formulas
| octane | propane-2, 2-d 2 formula | CH_3(CH_2)_6CH_3 | CH_3CD_2CH_3 Hill formula | C_8H_18 | C_3H_6D_2 name | octane | propane-2, 2-d 2 IUPAC name | octane | 2, 2-dideuteriopropane alternate names | N-octane | oktan | oktanen | ottani | 2, 2-dideuteriopropane mass fractions | C (carbon) 84.1% | H (hydrogen) 15.9% | C (carbon) 0.781% | H (hydrogen) 0.219%
Structure diagrams
| octane | propane-2, 2-d 2 vertex count | 8 | 3 edge count | 7 | 2 Schultz index | 306 | 16 Wiener index | 84 | 4 Hosoya index | 34 | 3 Balaban index | 2.53 | 1.633
3D structure
3D structure
Basic properties
| octane | propane-2, 2-d 2 molar mass | 114.23 g/mol | 46.109 g/mol phase | liquid (at STP) | gas (at STP) melting point | -57 °C | -188 °C boiling point | 126 °C | -42.1 °C density | 0.703 g/cm^3 | solubility in water | insoluble |
Units
Hydrophobicity and permeability properties
| octane experimental LogP hydrophobicity | 5.18 predicted LogP hydrophobicity | 4.73 experimental LogS | -5.24 predicted LogS | -4.53
Gas properties
| propane-2, 2-d 2 vapor density | 1.5