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

Other names |
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α,η-amylene; β-Isoamylene; 1,1,2-Trimethylethylene; 2-Methyl-2-butene; 2-Methylbut-2-ene; 2-Butene, 2-methyl-; 3-Methyl-2-butene; Amylene; Ethylene, trimethyl-; Isopentene; Methyl butene; n-Amylene; UN 2371; UN 2460; Trimethylethylene; alpha,eta-amylene; beta-Isoamylene; |

INChI |
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InChI=1/C5H10/c1-4-5(2)3/h4H,1-3H3 |

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 | x | |||

Energy 0K | 219 | |||

Energy 298.15K | 190 | |||

Atomization Enthalpy 298.15K | x | 180 | x | |

Atomization Enthalpy 0K | x | 182 | x | |

Entropy (298.15K) | x | 175 | x | |

Entropy at any temperature | 175 | |||

Integrated Heat Capacity | x | 175 | x | |

Heat Capacity (Cp) | x | 175 | x | |

Nuclear Repulsion Energy | 207 | |||

HOMO-LUMO Energies | 205 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | 186 | ||

Internal Coordinates | 186 | |||

Products of moments of inertia | 197 | |||

Rotational Constants | 202 | |||

Point Group | 209 | |||

Vibrations | Vibrational Frequencies | x | 200 | x |

Vibrational Intensities | 200 | |||

Zero-point energies | 200 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 162 | ||

Dipole | 164 | |||

Quadrupole | 158 | |||

Polarizability | 141 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 4 | |||

Conformations | 1 |