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

Other names |
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Algofrene Type 1; Arcton 11; Arcton 9; Chlorofluoromethane (CCl3F); Daiflon 11; Daiflon S 1; Electro-CF 11; F 11; F 11B; FC 11; FC 11, Halocarbon; FKW 11; Fluorocarbon 11; Fluorochloroform; Fluorotrichloromethane; Freon 11; Freon MF; Freon R 11; Frigen 11; Frigen 11A; Frigen S 11; Genetron 11; Halon 11; Isceon 131; Isotron 11; Kaltron 11; Khladon 11; Ledon 11; Methane, trichlorofluoro-; Monofluorotrichloromethane; Propellant 11; R 11; R 11, Halocarbon; Refrigerant 11; Refrigerant R11; Trichloromonofluoromethane; Trichlorofluoromethane; Triclorofluormethane; |

INChI |
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InChI=1/CCl3F/c2-1(3,4)5 |

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 | 218 | |||

Energy 298.15K | 178 | |||

Atomization Enthalpy 298.15K | x | 172 | x | |

Atomization Enthalpy 0K | x | 181 | x | |

Entropy (298.15K) | x | 175 | x | |

Entropy at any temperature | 175 | |||

Integrated Heat Capacity | x | 175 | x | |

Heat Capacity (Cp) | x | 175 | x | |

Nuclear Repulsion Energy | 201 | |||

HOMO-LUMO Energies | 192 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | x | 182 | |

Internal Coordinates | x | 182 | x | |

Products of moments of inertia | 192 | |||

Rotational Constants | x | 197 | x | |

Point Group | 198 | |||

Vibrations | Vibrational Frequencies | x | 195 | x |

Vibrational Intensities | x | 193 | x | |

Zero-point energies | x | 195 | x | |

Vibrational scaling factors | x | |||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 156 | ||

Dipole | x | 163 | x | |

Quadrupole | 157 | |||

Polarizability | x | 138 | x | |

Other results | Spin | 0 | ||

Number of basis functions | 7 | |||

Diagnostics | 4 | |||

Conformations | 1 |