Input interpretation
octane | 3-ethylhexane
Chemical names and formulas
| octane | 3-ethylhexane formula | CH_3(CH_2)_6CH_3 | C_8H_18 Hill formula | C_8H_18 | C_8H_18 name | octane | 3-ethylhexane IUPAC name | octane | 3-ethylhexane alternate names | N-octane | oktan | oktanen | ottani | hexane, 3-ethyl | hexane, 3-ethyl- mass fractions | C (carbon) 84.1% | H (hydrogen) 15.9% | C (carbon) 84.1% | H (hydrogen) 15.9%
Structure diagrams
| octane | 3-ethylhexane vertex count | 8 | 8 edge count | 7 | 7 Schultz index | 306 | 260 Wiener index | 84 | 72 Hosoya index | 34 | 32 Balaban index | 2.53 | 3.074
3D structure
3D structure
Basic properties
| octane | 3-ethylhexane molar mass | 114.23 g/mol | 114.23 g/mol phase | liquid (at STP) | liquid (at STP) melting point | -57 °C | -109 °C boiling point | 126 °C | 119 °C density | 0.703 g/cm^3 | 0.7136 g/cm^3 solubility in water | insoluble | 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
Liquid properties
| octane | 3-ethylhexane density | 0.703 g/cm^3 | 0.7136 g/cm^3 vapor pressure | 11 mmHg | 21 mmHg dynamic viscosity | 5.08×10^-4 Pa s | 4.5×10^-4 Pa s surface tension | | 0.02162 N/m refractive index | 1.398 | 1.4018
Units
