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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 |
|---|
| Boron monoxide; Boron oxide; |
| INChI | INChIKey | SMILES | IUPAC name |
|---|---|---|---|
| InChI=1S/BO/c1-2 | MOWNZPNSYMGTMD-UHFFFAOYSA-N | [B]=O |
| State | Conformation |
|---|---|
| 2Σ | C*V |
| Property | Value | Uncertainty | units | Reference | Comment |
|---|---|---|---|---|---|
Hfg(298.15K) ![]() |
9.81 | 11.00 | kJ mol-1 | Gurvich | |
Hfg(0K) ![]() |
6.70 | 11.00 | kJ mol-1 | Gurvich | |
Entropy (298.15K) ![]() |
203.47 | 0.04 | J K-1 mol-1 | Gurvich | |
Integrated Heat Capacity (0 to 298.15K) ![]() |
8.67 | kJ mol-1 | Gurvich | ||
Heat Capacity (298.15K) ![]() |
29.20 | 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 | Σ | 1862 | 1885 | 2007Iri:389 | |||||
| ωe | ωexe | ωeye | Be | αe | ZPE | reference |
|---|---|---|---|---|---|---|
| 1885.286 | 11.694 | -0.00952 | 1.78111 | 0.016516 | 939.8885 | 2007Iri:389 |