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

Other names |
---|

1,1-Dichloorethaan; 1,1-Dichloraethan; 1,1-Dichlorethane; 1,1-Dichloroethane; 1,1-Dicloroetano; Aethylidenchlorid; Assymmetrical Dichloroethane; Chlorinated hydrochloric ether; Chlorure D'ethylidene; Cloruro di etilidene; Dichloromethylmethane; Ethane, 1,1-dichloro-; Ethylidene chloride; Ethylidene dichloride; NCI-C04535; Rcra waste number U076; UN 2362; |

INChI |
---|

InChI=1/C2H4Cl2/c1-2(3)4/h2H,1H3 |

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 | 233 | |||

Energy 298.15K | 201 | |||

Atomization Enthalpy 298.15K | x | 195 | x | |

Atomization Enthalpy 0K | x | 197 | x | |

Entropy (298.15K) | x | 184 | x | |

Entropy at any temperature | 184 | |||

Integrated Heat Capacity | x | 184 | x | |

Heat Capacity (Cp) | x | 184 | x | |

Nuclear Repulsion Energy | 203 | |||

HOMO-LUMO Energies | 197 | |||

Barriers to Internal Rotation | 8 | |||

Geometries | Cartesians | x | 184 | |

Internal Coordinates | x | 184 | x | |

Products of moments of inertia | x | 189 | x | |

Rotational Constants | x | 194 | x | |

Point Group | 195 | |||

Vibrations | Vibrational Frequencies | 192 | ||

Vibrational Intensities | 190 | |||

Zero-point energies | 192 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 156 | ||

Dipole | x | 161 | x | |

Quadrupole | 154 | |||

Polarizability | 136 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 5 | |||

Conformations | 1 |