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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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Chlorid kremicity; Extrema; Silane, tetrachloro-; Silicio(tetracloruro di); Silicium(tetrachlorure de); Siliciumtetrachlorid; Siliciumtetrachloride; Silicon chloride; Silicon chloride (SiCl4); Silicon tetrachloride; Silicon(IV) chloride; Tetrachlorosilane; Tetrachlorosilicon; Tetrachlorure de silicium; perchlorosilane; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/Cl4Si/c1-5(2,3)4 | FDNAPBUWERUEDA-UHFFFAOYSA-N | Cl[Si](Cl)(Cl)Cl | perchlorosilane |
State | Conformation |
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1A1 | TD |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
-662.20 | 0.80 | kJ mol-1 | Gurvich | |
Hfg(0K) ![]() |
-660.08 | 0.80 | kJ mol-1 | Gurvich | |
Entropy (298.15K) ![]() |
331.45 | J K-1 mol-1 | Gurvich | ||
Integrated Heat Capacity (0 to 298.15K) ![]() |
19.44 | kJ mol-1 | Gurvich | ||
Heat Capacity (298.15K) ![]() |
90.40 | 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 | A1 | 424 | Shim | sym stretch | |||||
2 | E | 150 | Shim | deg. deform | |||||
3 | T2 | 621 | Shim | deg. stretch | |||||
4 | T2 | 221 | Shim | deg. deform |
A | B | C | reference | comment |
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Product of moments of inertia ![]() | ||||
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amu3Å6 | 0 | gm3 cm6 |
Point Group Td
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