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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 |
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Aluminum; dialuminum; |
INChI | INChIKey | SMILES | IUPAC name |
---|---|---|---|
InChI=1S/2Al | QSDQMOYYLXMEPS-UHFFFAOYSA-N | [Al]#[Al] | dialuminum |
State | Conformation |
---|---|
3Σg | D*H |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
10.00 | kJ mol-1 | 1990Fu/Lem:8420 | ||
Hfg(0K) ![]() |
525.90 | 10.00 | kJ mol-1 | 1990Fu/Lem:8420 | |
Entropy (298.15K) ![]() |
243.84 | 0.30 | J K-1 mol-1 | Gurvich | |
Integrated Heat Capacity (0 to 298.15K) ![]() |
10.14 | kJ mol-1 | Gurvich | ||
Heat Capacity (298.15K) ![]() |
37.06 | J K-1 mol-1 | Gurvich |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
1 | Σg | 284 | 286 | 1990Fu/Lem:8420 |
ωe | ωexe | ωeye | Be | αe | ZPE | reference |
---|---|---|---|---|---|---|
285.8 | 0.9 | 0.17127 | 0.0008 | 142.6763 | 2007Iri:389 |