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

Other names |
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1,1,2,2-Tetrafluoroethylene; Ethene, tetrafluoro-; Ethylene, tetrafluoro-; Fluoroplast 4; Perfluoroethene; Perfluoroethylene; Tetrafluorethylene; Tetrafluoroethene; Ethane, tetrafluoro-; Tetrafluoroethylene, inhibited; TFE; UN 1081; |

INChI |
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InChI=1/C2F4/c3-1(4)2(5)6 |

An "x" indicates that data is available. A number indicates how many calculations have been completed.

Property | Experiment | Calculated | Comparison | |
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Energies Entropies |
Enthalpy 298.15K | x | ||

Enthalpy 0K | x | |||

Energy 0K | 213 | |||

Energy 298.15K | 188 | |||

Atomization Enthalpy 298.15K | x | 182 | x | |

Atomization Enthalpy 0K | x | 182 | x | |

Entropy (298.15K) | x | 168 | x | |

Entropy at any temperature | 168 | |||

Integrated Heat Capacity | x | 168 | x | |

Heat Capacity (Cp) | x | 168 | x | |

Nuclear Repulsion Energy | 190 | |||

HOMO-LUMO Energies | 183 | |||

Barriers to Internal Rotation | 9 | |||

Geometries | Cartesians | x | 161 | |

Internal Coordinates | x | 161 | x | |

Products of moments of inertia | 181 | |||

Rotational Constants | 186 | |||

Point Group | 187 | |||

Vibrations | Vibrational Frequencies | x | 184 | x |

Vibrational Intensities | 183 | |||

Zero-point energies | x | 184 | x | |

Vibrational scaling factors | x | |||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 156 | ||

Dipole | x | 159 | x | |

Quadrupole | 153 | |||

Polarizability | 138 | |||

Other results | Spin | 2 | ||

Number of basis functions | 7 | |||

Diagnostics | 4 | |||

Conformations | 1 |