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

Other names |
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α,β-Oxidoethane; 1,2-Epoxyaethan; 1,2-Epoxyethane; Aethylenoxid; Amprolene; Anprolene; Anproline; Dihydrooxirene; Dimethylene oxide; E.O.; ENT-26263; Epoxyethane; Ethene oxide; Ethox; Ethyleenoxide; Ethylene oxide; ETO; Etylenu tlenek; FEMA No. 2433; Merpol; NCI-C50088; Oxacyclopropane; Oxane; Oxidoethane; Oxiraan; Oxiran; Oxirane; Oxirene, Dihydro-; Oxyfume; Oxyfume 12; Rcra waste number U115; Sterilizing gas ethylene oxide 100%; T-Gas; UN 1040; alpha,beta-Oxidoethane; |

INChI |
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InChI=1/C2H4O/c1-2-3-1/h1-2H2 |

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 | 296 | |||

Energy 298.15K | 263 | |||

Atomization Enthalpy 298.15K | x | 252 | x | |

Atomization Enthalpy 0K | x | 253 | x | |

Entropy (298.15K) | x | 222 | x | |

Entropy at any temperature | 222 | |||

Integrated Heat Capacity | x | 222 | x | |

Heat Capacity (Cp) | x | 222 | x | |

Nuclear Repulsion Energy | 251 | |||

HOMO-LUMO Energies | 246 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | x | 210 | |

Internal Coordinates | x | 210 | x | |

Products of moments of inertia | x | 227 | x | |

Rotational Constants | x | 232 | x | |

Point Group | 233 | |||

Vibrations | Vibrational Frequencies | x | 230 | x |

Vibrational Intensities | 220 | |||

Zero-point energies | x | 230 | x | |

Vibrational scaling factors | x | |||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 185 | ||

Dipole | x | 179 | x | |

Quadrupole | x | 173 | x | |

Polarizability | 153 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 5 | |||

Conformations | 1 |