![]() |
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 |
---|
Sodium; Sodium dimer; disodium; |
INChI | INChIKey | SMILES | IUPAC name |
---|---|---|---|
InChI=1S/2Na | QXNVGIXVLWOKEQ-UHFFFAOYSA-N | [Na][Na] | disodium |
State | Conformation |
---|---|
1Σg | D*H |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
142.07 | 1.20 | kJ mol-1 | JANAF | |
Hfg(0K) ![]() |
144.59 | 1.20 | kJ mol-1 | JANAF | |
Entropy (298.15K) ![]() |
230.24 | 0.03 | J K-1 mol-1 | JANAF | |
Integrated Heat Capacity (0 to 298.15K) ![]() |
10.40 | kJ mol-1 | JANAF | ||
Heat Capacity (298.15K) ![]() |
37.59 | 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 | Σg | 158 | 159 | 1979HUB/HER |
ωe | ωexe | ωeye | Be | αe | ZPE | reference |
---|---|---|---|---|---|---|
159.0855 | 0.7086557 | -4.632416E-03 | 0.1547354 | 8.63753E-04 | 79.33591 | 2007Iri:389 |