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

Other names |
---|

Asulfa-Supra; Atomic sulfur; Bensulfoid; Brimstone; Colloidal sulfur; Colloidal-S; Colsul; component of Bensulfoid; Corosul D and S; Cosan; Cosan 80; Crystex; Elosal; Flour sulfur; Flowers of sulfur; Flowers of sulphur; Ground vocle sulfur; Hexasul; Kolloidschwefel 95; Kolo 100; Kolofog; Kolospray; Kumulus; Magnetic 70, 90, and 95; Micowetsulf; Microflotox; Netzschwefel; Polsulkol Extra; Precipitated sulfur; RC-Schwefel Extra; Sofril; Sperlox-S; Spersul; Spersul thiovit; Sublimed sulfur; Sufran; Sufran D; Sulfex; Sulfidal; Sulforon; Sulfur; Sulfur atom; Sulfur Soap; Sulfur, Precipitated; Sulikol; Sulkol; Sulsol; Sultaf; Super cosan; Svovl; Thiolux; Thiovit; Ultra Sulfur; |

INChI |
---|

InChI=1/S |

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 | 1199 | |||

Energy 298.15K | 343 | |||

Atomization Enthalpy 298.15K | x | 0 | x | |

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

Entropy (298.15K) | x | 346 | x | |

Entropy at any temperature | 346 | |||

Integrated Heat Capacity | x | 346 | x | |

Heat Capacity (Cp) | x | 346 | x | |

Nuclear Repulsion Energy | 54 | |||

HOMO-LUMO Energies | 348 | |||

Barriers to Internal Rotation | 0 | |||

Geometries | Cartesians | 3 | ||

Internal Coordinates | 0 | |||

Products of moments of inertia | 0 | |||

Rotational Constants | 0 | |||

Point Group | 1082 | |||

Vibrations | Vibrational Frequencies | 0 | ||

Vibrational Intensities | 0 | |||

Zero-point energies | x | 0 | x | |

Vibrational scaling factors | x | |||

Anharmonic frequencies and constants | ||||

Electronic States | Electronic states | x | 0 | |

Electrostatics | Atom charges | 155 | ||

Dipole | x | 130 | x | |

Quadrupole | 544 | |||

Polarizability | x | 53 | x | |

Other results | Spin | 1003 | ||

Number of basis functions | 35 | |||

Diagnostics | 5 | |||

Conformations | 1 |