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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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Diatomic nitrogen; Dinitrogen; Molecular nitrogen; Nitrogen; Nitrogen gas; Nitrogen-14; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/N2/c1-2 | IJGRMHOSHXDMSA-UHFFFAOYSA-N | N#N | Dinitrogen |
State | Conformation |
---|---|
1Σg | D*H |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
0.00 | 0.00 | kJ mol-1 | CODATA | |
Hfg(0K) ![]() |
0.00 | 0.00 | kJ mol-1 | CODATA | |
Entropy (298.15K) ![]() |
191.61 | J K-1 mol-1 | CODATA | ||
Integrated Heat Capacity (0 to 298.15K) ![]() |
8.67 | kJ mol-1 | CODATA | ||
Heat Capacity (298.15K) ![]() |
29.12 | 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 | 2330 | 2359 | 2007Iri:389 |
ωe | ωexe | ωeye | Be | αe | ZPE | reference |
---|---|---|---|---|---|---|
2358.57 | 14.324 | -0.00226 | 1.998241 | 0.017318 | 1175.778 | 2007Iri:389 |