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

Other names |
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α,β-Dimethoxyethane; 1,2-Dimethoxyethane; 1,2-Ethanediol dimethyl ether; 2,5-Dioxahexane; Dimethoxyethane; Dimethyl cellosolve; Dimethyl cellosolve monoglyme; Egdme; Ethane, 1,2-dimethoxy-; Ethylene dimethyl ether; Ethylene glycol dimethyl ether; Glycol dimethyl ether; Glyme; Monoethylene glycol dimethyl ether; Monoglyme; UN 2252; alpha,beta-Dimethoxyethane; |

INChI |
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InChI=1/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3 |

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 | 189 | |||

Energy 298.15K | 164 | |||

Atomization Enthalpy 298.15K | x | 158 | x | |

Atomization Enthalpy 0K | 160 | |||

Entropy (298.15K) | 154 | |||

Entropy at any temperature | 154 | |||

Integrated Heat Capacity | 154 | |||

Heat Capacity (Cp) | 154 | |||

Nuclear Repulsion Energy | 185 | |||

HOMO-LUMO Energies | 180 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | x | 160 | |

Internal Coordinates | x | 0 | x | |

Products of moments of inertia | 177 | |||

Rotational Constants | 182 | |||

Point Group | 182 | |||

Vibrations | Vibrational Frequencies | 179 | ||

Vibrational Intensities | 178 | |||

Zero-point energies | 179 | |||

Vibrational scaling factors | ||||

Anharmonic frequencies and constants | 2 | |||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 155 | ||

Dipole | 157 | |||

Quadrupole | 152 | |||

Polarizability | 138 | |||

Other results | Spin | 0 | ||

Number of basis functions | 6 | |||

Diagnostics | 3 | |||

Conformations | 1 |