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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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Bisulfite; Fermenicide liquid; Fermenicide powder; Fermenticide liquid; Schwefeldioxyd; Siarki dwutlenek; Sulfur dioxide; Sulfur oxide; Sulfur oxide (SO2); Sulfurous acid anhydride; Sulfurous anhydride; Sulfurous oxide; Sulphur dioxide; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/O2S/c1-3-2 | RAHZWNYVWXNFOC-UHFFFAOYSA-N | O=S=O | Sulfur dioxide |
State | Conformation |
---|---|
1A1 | C2V |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
-296.81 | 0.20 | kJ mol-1 | CODATA | |
Hfg(0K) ![]() |
-294.30 | 0.20 | kJ mol-1 | CODATA | |
Entropy (298.15K) ![]() |
248.22 | 0.05 | J K-1 mol-1 | CODATA | |
Integrated Heat Capacity (0 to 298.15K) ![]() |
10.55 | 0.01 | kJ mol-1 | CODATA | |
Heat Capacity (298.15K) ![]() |
39.84 | 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 | 1151 | 1168 | 1982vibint | 25.0 | 1982vibint | SO2 s-str | ||
2 | A1 | 518 | 526 | 1982vibint | 25.2 | 1982vibint | bend | ||
3 | B2 | 1362 | 1381 | 1982vibint | 189.0 | 1982vibint | SO2 a-str |
A | B | C | reference | comment |
---|---|---|---|---|
2.02736 | 0.34417 | 0.29354 | 1966Herzberg |
Product of moments of inertia ![]() | ||||
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23389.76 | amu3Å6 | 1.07101063996828E-115 | gm3 cm6 |