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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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Ethane, hexamethyl-; Hexamethylethane; 2,2,3,3-Tetramethylbutane; Butane, 2,2,3,3-tetramethyl-; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/C8H18/c1-7(2,3)8(4,5)6/h1-6H3 | OMMLUKLXGSRPHK-UHFFFAOYSA-N | CC(C)(C)C(C)(C)C | 2,2,3,3-Tetramethylbutane |
State | Conformation |
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1A1 | D3D |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
-226.20 | 2.00 | kJ mol-1 | webbook | |
Hfg(0K) ![]() |
2.00 | kJ mol-1 | webbook | ||
Entropy (298.15K) ![]() |
389.30 | 1.30 | J K-1 mol-1 | webbook | |
Heat Capacity (298.15K) ![]() |
187.20 | 0.60 | 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 |