![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Experimental > One molecule all properties |
Other names |
---|
Akro-mag; Animag; Calcined brucite; Calcined magnesia; Calcined magnesite; Granmag; Magcal; Magchem 100; Maglite; Magnesia; Magnesia usta; Magnesium Oxide; Magnesium oxide (MgO); Magnezu tlenek; Magox; Magox 85; Magox 90; Magox 95; Magox 98; Magox op; Marmag; Oxymag; Periclase; Seawater magnesia; |
INChI | INChIKey | SMILES | IUPAC name |
---|---|---|---|
InChI=1S/Mg.O | CPLXHLVBOLITMK-UHFFFAOYSA-N | [Mg]=O | Magnesium Oxide |
State | Conformation |
---|---|
1Σ+ | C*V |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
151.40 | 21.00 | kJ mol-1 | 1989OPE/TEW9152 | entropy and HH from Gurvich |
Hfg(0K) ![]() |
151.00 | 21.00 | kJ mol-1 | 1989OPE/TEW9152 | entropy and HH from Gurvich |
Entropy (298.15K) ![]() |
213.32 | J K-1 mol-1 | Gurvich | ||
Integrated Heat Capacity (0 to 298.15K) ![]() |
8.91 | kJ mol-1 | Gurvich | ||
Heat Capacity (298.15K) ![]() |
32.17 | J K-1 mol-1 | JANAF |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
1 | Σ | 775 | 785 | 2007Iri:389 |
ωe | ωexe | ωeye | Be | αe | ZPE | reference |
---|---|---|---|---|---|---|
785.2183 | 5.1327 | 0.01649 | 0.5748414 | 0.0053223 | 391.4329 | 2007Iri:389 |