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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 tribromide; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/Al.3BrH/h;3*1H/q+3;;;/p-3 | Br[Al](Br)Br |
State | Conformation |
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1A1' | D3H |
Property | Value | Uncertainty | units | Reference | Comment |
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Hfg(298.15K) ![]() |
-410.45 | kJ mol-1 | webbook | ||
Hfg(0K) ![]() |
kJ mol-1 | webbook | |||
Entropy (298.15K) ![]() |
349.41 | 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 | A1' | 228 | 2012Var/Kol:879-893 | ||||||
2 | A2" | 176 | |||||||
3 | E' | 503 | |||||||
4 | E' | 93 |
A | B | C | reference | comment |
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