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

Other names |
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1,trans-2-Dichloroethene; 1,2-trans-Dichloroethene; 1,2-trans-Dichloroethylene; (E)-1,2-Dichloroethene; (E)-1,2-Dichloroethylene; (E)-CHCl=CHCl; Acetylene dichloride, trans-; Dichloroethylene, trans-; Ethene, 1,2-dichloro-, (E)-; Ethylene, 1,2-dichloro-, (E)-; Rcra waste number U079; trans-1,2-Dichloroethene; trans-1,2-Dichloroethylene; trans-Acetylene dichloride; trans-Di-1,2-Chloroethylene; trans-Dichloroethylene; 1,2-dichloroethylene; |

INChI |
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InChI=1/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+ |

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 | 238 | |||

Energy 298.15K | 206 | |||

Atomization Enthalpy 298.15K | x | 199 | x | |

Atomization Enthalpy 0K | 204 | |||

Entropy (298.15K) | x | 189 | x | |

Entropy at any temperature | 189 | |||

Integrated Heat Capacity | x | 189 | x | |

Heat Capacity (Cp) | x | 189 | x | |

Nuclear Repulsion Energy | 207 | |||

HOMO-LUMO Energies | 199 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | 188 | ||

Internal Coordinates | x | 188 | x | |

Products of moments of inertia | 195 | |||

Rotational Constants | 200 | |||

Point Group | 200 | |||

Vibrations | Vibrational Frequencies | x | 196 | x |

Vibrational Intensities | 193 | |||

Zero-point energies | x | 196 | x | |

Vibrational scaling factors | x | |||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 159 | ||

Dipole | 160 | |||

Quadrupole | 153 | |||

Polarizability | 140 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 5 | |||

Conformations | 1 |