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

Other names |
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1,1-Dimethylethylamine; 2-Methyl-2-aminopropane; 2-Methyl-2-propanamine; 2-Methyl-2-propylamine; 2-Amino-2-Methylpropane; 2-Aminoisobutane; 2-Propanamine, 2-methyl-; Butylamine, tert; Butylamine, tertiary; t-Butylamine; tert-Butylamine; tert-C4H9NH2; Trimethylaminomethane; 2-methylpropan-2-amine; |

INChI |
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InChI=1/C4H11N/c1-4(2,3)5/h5H2,1-3H3 |

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 | 200 | |||

Energy 298.15K | 170 | |||

Atomization Enthalpy 298.15K | x | 167 | x | |

Atomization Enthalpy 0K | x | 172 | x | |

Entropy (298.15K) | x | 163 | x | |

Entropy at any temperature | 163 | |||

Integrated Heat Capacity | x | 163 | x | |

Heat Capacity (Cp) | x | 162 | x | |

Nuclear Repulsion Energy | 194 | |||

HOMO-LUMO Energies | 187 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | 168 | ||

Internal Coordinates | x | 168 | x | |

Products of moments of inertia | 182 | |||

Rotational Constants | 187 | |||

Point Group | 188 | |||

Vibrations | Vibrational Frequencies | 187 | ||

Vibrational Intensities | 186 | |||

Zero-point energies | 187 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 158 | ||

Dipole | 161 | |||

Quadrupole | 156 | |||

Polarizability | 140 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 4 | |||

Conformations | 1 |