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

Other names |
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2-(Chloromethyl)oxirane; α-Epichlorohydrin; γ-Chloropropylene oxide; 1,2-Epoxy-3-chloropropane; 1-Chloor-2,3-epoxy-propaan; 1-Chlor-2,3-epoxy-propan; 1-Chloro-2,3-Epoxypropane; 1-Cloro-2,3-epossipropano; 2,3-Epoxypropyl chloride; (Chloromethyl)ethylene oxide; (Chloromethyl)oxirane; (DL)-α-Epichlorohydrin; 3-Chloro-1,2-epoxypropane; 3-Chloro-1,2-propylene oxide; 3-Chloropropene-1,2-oxide; 3-Chloropropylene oxide; Alyl chloride oxide; Chloropropylene oxide; ECH; Epichloorhydrine; Epichlorhydrin; Epichlorhydrine; Epichlorohydrin; Epichlorohydryna; Epichlorophydrin; Epicloridrina; Glycerol epichlorhydrin; Glycerol epichlorohydrin; Glycidyl chloride; Oxirane, (chloromethyl)-; Oxirane, 2-(chloromethyl); Propane, 1-chloro-2,3-epoxy-; Rcra waste number U041; SKEkhG; UN 2023; alpha-Epichlorohydrin; gamma-Chloropropylene oxide; |

INChI |
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InChI=1/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2 |

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 | 194 | |||

Energy 298.15K | 169 | |||

Atomization Enthalpy 298.15K | x | 163 | x | |

Atomization Enthalpy 0K | 167 | |||

Entropy (298.15K) | 165 | |||

Entropy at any temperature | 165 | |||

Integrated Heat Capacity | 165 | |||

Heat Capacity (Cp) | 164 | |||

Nuclear Repulsion Energy | 183 | |||

HOMO-LUMO Energies | 64 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | 167 | ||

Internal Coordinates | x | 167 | x | |

Products of moments of inertia | 171 | |||

Rotational Constants | 176 | |||

Point Group | 179 | |||

Vibrations | Vibrational Frequencies | 177 | ||

Vibrational Intensities | 176 | |||

Zero-point energies | 177 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 148 | ||

Dipole | 152 | |||

Quadrupole | 147 | |||

Polarizability | 130 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 4 | |||

Conformations | 1 |