## I.B.3. (II.A.2.) |

Other names |
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Ethane, hexamethyl-; Hexamethylethane; 2,2,3,3-Tetramethylbutane; Butane, 2,2,3,3-tetramethyl-; |

INChI |
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InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3 |

An "x" indicates that data is available. A number indicates how many calculations have been completed.

Property | Experiment | Calculated | Comparison | |
---|---|---|---|---|

Energies Entropies |
Enthalpy 298.15K | x | ||

Enthalpy 0K | ||||

Energy 0K | 24 | |||

Energy 298.15K | 3 | |||

Atomization Enthalpy 298.15K | 0 | |||

Atomization Enthalpy 0K | 0 | |||

Entropy (298.15K) | x | 0 | x | |

Entropy at any temperature | 0 | |||

Integrated Heat Capacity | 0 | |||

Heat Capacity (Cp) | x | 0 | x | |

Nuclear Repulsion Energy | 24 | |||

HOMO-LUMO Energies | 24 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | 24 | ||

Internal Coordinates | 23 | |||

Products of moments of inertia | 21 | |||

Rotational Constants | 24 | |||

Point Group | 26 | |||

Vibrations | Vibrational Frequencies | 23 | ||

Vibrational Intensities | 23 | |||

Zero-point energies | 23 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | ||||

Electronic States | Electronic states | 0 | ||

Electrostatics | Atom charges | 15 | ||

Dipole | 15 | |||

Quadrupole | 13 | |||

Polarizability | 17 | |||

Other results | Spin | 0 | ||

Number of basis functions | 4 | |||

Diagnostics | 0 | |||

Conformations | 2 | x |