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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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Boron hydride sulfide; thioxoborane; |
INChI | INChIKey | SMILES | IUPAC name |
---|---|---|---|
InChI=1S/BHS/c1-2/h1H | WGPDGCGYTCPFPX-UHFFFAOYSA-N | B=S | thioxoborane |
State | Conformation |
---|---|
1Σ | C*V |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
kJ mol-1 | JANAF | |||
Hfg(0K) ![]() |
-16.71 | kJ mol-1 | JANAF | ||
Entropy (298.15K) ![]() |
J K-1 mol-1 | ||||
Integrated Heat Capacity (0 to 298.15K) ![]() |
kJ mol-1 | ||||
Heat Capacity (298.15K) ![]() |
36.77 | J K-1 mol-1 | webbook |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
1 | Σ | 2736 | VEEL5 | ||||||
2 | Σ | 1172 | Shim |