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

Other names |
---|

Chlorethene; Chlorethylene; Chloroethene; Chloroethylene; Chlorure de vinyle; Cloruro di vinile; Ethene, chloro-; Ethylene monochloride; Ethylene, chloro-; Monochloroethene; Monochloroethylene; Rcra waste number U043; Vinyl chloride monomer; Vinylchlorid; Winylu chlorek; VC; Vinyl C monomer; Vinyl chloride; Vinyl chloride, inhibited; Trovidur; Vinyle(chlorure de); UN 1086; VCM; Vinile; |

INChI |
---|

InChI=1/C2H3Cl/c1-2-3/h2H,1H2 |

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 | 264 | |||

Energy 298.15K | 227 | |||

Atomization Enthalpy 298.15K | x | 220 | x | |

Atomization Enthalpy 0K | 225 | |||

Entropy (298.15K) | x | 208 | x | |

Entropy at any temperature | 208 | |||

Integrated Heat Capacity | x | 208 | x | |

Heat Capacity (Cp) | x | 208 | x | |

Nuclear Repulsion Energy | 227 | |||

HOMO-LUMO Energies | 219 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | x | 198 | |

Internal Coordinates | x | 198 | x | |

Products of moments of inertia | x | 206 | x | |

Rotational Constants | x | 211 | x | |

Point Group | 212 | |||

Vibrations | Vibrational Frequencies | x | 208 | x |

Vibrational Intensities | 202 | |||

Zero-point energies | x | 208 | x | |

Vibrational scaling factors | x | |||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 169 | ||

Dipole | x | 166 | x | |

Quadrupole | 159 | |||

Polarizability | 143 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 5 | |||

Conformations | 1 |