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

Other names |
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1,2-Dihydroxyethane; 1,2-Ethandiol; 1,2-Ethanediol; 2-Hydroxyethanol; Athylenglykol; Dihydroxyethane; Dowtherm SR 1; Ethane-1,2-diol; Ethanediol; Ethylene alcohol; Ethylene dihydrate; Ethylene glycol; Ethylene gycol; Fridex; Glycol; Glycol alcohol; Glygen; Lutrol 9; M.e.g.; Macrogol 400 BPC; Monoethylene glycol; Norkool; Ramp; Tescol; Ucar 17; Zerex; |

INChI |
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InChI=1/C2H6O2/c3-1-2-4/h3-4H,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 | x | |||

Energy 0K | 246 | |||

Energy 298.15K | 219 | |||

Atomization Enthalpy 298.15K | x | 213 | x | |

Atomization Enthalpy 0K | x | 214 | x | |

Entropy (298.15K) | x | 185 | x | |

Entropy at any temperature | 185 | |||

Integrated Heat Capacity | x | 185 | x | |

Heat Capacity (Cp) | x | 185 | x | |

Nuclear Repulsion Energy | 209 | |||

HOMO-LUMO Energies | 206 | |||

Barriers to Internal Rotation | 28 | |||

Geometries | Cartesians | 182 | ||

Internal Coordinates | x | 182 | x | |

Products of moments of inertia | 195 | |||

Rotational Constants | 200 | |||

Point Group | 200 | |||

Vibrations | Vibrational Frequencies | 197 | ||

Vibrational Intensities | 195 | |||

Zero-point energies | 197 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 166 | ||

Dipole | 165 | |||

Quadrupole | 102 | |||

Polarizability | 143 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 5 | |||

Conformations | 1 |