![]() |
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 |
INChI | INChIKey | SMILES | IUPAC name |
---|---|---|---|
InChI=1S/Se2/c1-2 | XIMIGUBYDJDCKI-UHFFFAOYSA-N | [Se]=[Se] |
State | Conformation |
---|---|
3Σg | D*H |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
141.10 | 3.00 | kJ mol-1 | 2005Se | |
Hfg(0K) ![]() |
3.00 | kJ mol-1 | 2005Se | ||
Entropy (298.15K) ![]() |
247.38 | 0.40 | J K-1 mol-1 | 2005Se | |
Heat Capacity (298.15K) ![]() |
41.71 | 0.20 | J K-1 mol-1 | 2005Se |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference |