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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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Fluoride, sodium; Sodium Fluoride; Sodium monofluoride; Villiaumite; |
INChI | INChIKey | SMILES | IUPAC name |
---|---|---|---|
InChI=1S/FH.Na/h1H;/q;+1/p-1 | PUZPDOWCWNUUKD-UHFFFAOYSA-M | [Na]F | Sodium Fluoride |
State | Conformation |
---|---|
1Σ | C*V |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
-290.45 | 2.10 | kJ mol-1 | JANAF | |
Hfg(0K) ![]() |
-288.82 | 2.10 | kJ mol-1 | JANAF | |
Entropy (298.15K) ![]() |
217.61 | 0.01 | J K-1 mol-1 | JANAF | |
Integrated Heat Capacity (0 to 298.15K) ![]() |
9.23 | kJ mol-1 | JANAF | ||
Heat Capacity (298.15K) ![]() |
34.22 | J K-1 mol-1 | JANAF |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
1 | Σ | 529 | 536 | 2007Iri:389 |
ωe | ωexe | ωeye | Be | αe | ZPE | reference |
---|---|---|---|---|---|---|
535.658 | 3.57523 | 0.018453 | 0.4369015 | 4.559178E-03 | 267.1154 | 2007Iri:389 |