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

Other names |
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Ethane, chloropentafluoro-; Pentafluoroethyl chloride; F-115; Fluorocarbon 115; Freon 115; FC 115; R 115; 1-Chloro-1,1,2,2,2-Pentafluoroethane; Chloropentafluoroethane; Monochloropentafluoroethane; 1-chloro-1,1,2,2,2-pentafluoroethane; |

INChI |
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InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8 |

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 | 249 | |||

Energy 298.15K | 4 | |||

Atomization Enthalpy 298.15K | 0 | |||

Atomization Enthalpy 0K | 0 | |||

Entropy (298.15K) | 0 | |||

Entropy at any temperature | 0 | |||

Integrated Heat Capacity | 0 | |||

Heat Capacity (Cp) | 0 | |||

Nuclear Repulsion Energy | 248 | |||

HOMO-LUMO Energies | 248 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | 233 | ||

Internal Coordinates | 233 | |||

Products of moments of inertia | 224 | |||

Rotational Constants | 230 | |||

Point Group | 249 | |||

Vibrations | Vibrational Frequencies | 229 | ||

Vibrational Intensities | 222 | |||

Zero-point energies | 229 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | ||||

Electronic States | Electronic states | 0 | ||

Electrostatics | Atom charges | 148 | ||

Dipole | x | 200 | x | |

Quadrupole | 175 | |||

Polarizability | 138 | |||

Other results | Spin | 0 | ||

Number of basis functions | 25 | |||

Diagnostics | 0 | |||

Conformations | 1 |