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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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Dinitrogen trioxide; Nitrogen oxide; Nitrogen oxide (N2O3); |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/N2O3/c3-1-2(4)5 | LZDSILRDTDCIQT-UHFFFAOYSA-N | O=N(N=O)=O |
State | Conformation |
---|---|
1A' | CS |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
86.63 | 1.00 | kJ mol-1 | Gurvich | |
Hfg(0K) ![]() |
91.20 | 1.00 | kJ mol-1 | Gurvich | |
Entropy (298.15K) ![]() |
314.73 | J K-1 mol-1 | Gurvich | ||
Integrated Heat Capacity (0 to 298.15K) ![]() |
17.12 | kJ mol-1 | Gurvich | ||
Heat Capacity (298.15K) ![]() |
72.73 | 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 | A' | 1832 | 1994sti/pap:2910 | ||||||
2 | A' | 1652 | 1994sti/pap:2910 | ||||||
3 | A' | 1305 | 1994sti/pap:2910 | ||||||
4 | A' | 773 | 1994sti/pap:2910 | ||||||
5 | A' | 627 | 1994sti/pap:2910 | ||||||
6 | A' | 241 | 1994sti/pap:2910 | ||||||
7 | A' | 205 | 1994sti/pap:2910 | ||||||
8 | A" | 414 | 1994sti/pap:2910 | ||||||
9 | A" | 63 | 1979HUB/HER |
A | B | C | reference | comment |
---|---|---|---|---|
0.41543 | 0.14098 | 0.10517 | 1988Che/Smi:843 |
Product of moments of inertia ![]() | ||||
---|---|---|---|---|
777717.7 | amu3Å6 | 3.56114751496725E-114 | gm3 cm6 |