Input interpretation
octane | 1, 1, 4-trimethylcyclohexane
Chemical names and formulas
| octane | 1, 1, 4-trimethylcyclohexane formula | CH_3(CH_2)_6CH_3 | C_9H_18 Hill formula | C_8H_18 | C_9H_18 name | octane | 1, 1, 4-trimethylcyclohexane IUPAC name | octane | 1, 1, 4-trimethylcyclohexane alternate names | N-octane | oktan | oktanen | ottani | cyclohexane, 1, 1, 4-trimethyl- mass fractions | C (carbon) 84.1% | H (hydrogen) 15.9% | C (carbon) 85.6% | H (hydrogen) 14.4%
Structure diagrams
| octane | 1, 1, 4-trimethylcyclohexane vertex count | 8 | 9 edge count | 7 | 9 Schultz index | 306 | 359 Wiener index | 84 | 84 Hosoya index | 34 | 50 Balaban index | 2.53 | 2.349
3D structure
3D structure
Basic properties
| octane | 1, 1, 4-trimethylcyclohexane molar mass | 114.23 g/mol | 126.24 g/mol phase | liquid (at STP) | liquid (at STP) melting point | -57 °C | boiling point | 126 °C | 135 °C density | 0.703 g/cm^3 | 0.7685 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 | 1, 1, 4-trimethylcyclohexane density | 0.703 g/cm^3 | 0.7685 g/cm^3 vapor pressure | 11 mmHg | dynamic viscosity | 5.08×10^-4 Pa s | refractive index | 1.398 | 1.4251
Units
Thermodynamic properties
| octane molar heat of vaporization | 41.48 kJ/mol (kilojoules per mole) specific heat of vaporization | 0.3631 kJ/g (kilojoules per gram) molar heat of combustion | 5474 kJ/mol (kilojoules per mole) molar heat of fusion | 20.73 kJ/mol (kilojoules per mole) critical temperature | 569 K (kelvins) critical pressure | 2.51 MPa (megapascals) compressibility factor | 0.259 (at critical conditions) acentric factor ω | 0.396 Antoine equation constants | 14.2368 | 3304.16 | -55.2278