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 monoxide; Dinitrogen oxide; Factitious air; Hyponitrous acid anhydride; Laughing gas; Nitrogen Monoxide; Nitrogen oxide; Nitrogen oxide (N2O); Nitrous Oxide; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/N2O/c1-2-3 | GQPLMRYTRLFLPF-UHFFFAOYSA-N | [N]N=O | Dinitrogen monoxide |
State | Conformation |
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1Σ | C*V |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) | 81.60 | 0.50 | kJ mol-1 | Gurvich | |
Hfg(0K) | 85.03 | 0.50 | kJ mol-1 | Gurvich | |
Entropy (298.15K) | 220.01 | J K-1 mol-1 | Gurvich | ||
Integrated Heat Capacity (0 to 298.15K) | 9.58 | kJ mol-1 | Gurvich | ||
Heat Capacity (298.15K) | 38.63 | 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 | Σ | 2224 | 2282 | 2003Zun/Bas:43 | 345.2 | 18.5 | 1982Kag:297 | fundamentals from webbook (14N2O) | NN stretch |
2 | Σ | 1285 | 1298 | 2003Zun/Bas:43 | 54.7 | 2.9 | 1982Kag:297 | NO stretch | |
3 | Π | 589 | 596 | 2003Zun/Bas:43 | 7.0 | 0.4 | 1982Kag:297 | bend |
A | B | C | reference | comment |
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0.41901 | 1966Herzberg |
Product of moments of inertia | ||||
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40.23195 | amu Å2 | 6.680777E-39 | gm cm2 |
Point Group C∞v
Description | Value | unc. | Connectivity | Reference | Comment | |||
---|---|---|---|---|---|---|---|---|
Atom 1 | Atom 2 | Atom 3 | Atom 4 | |||||
rNN | 1.128 | 1 | 2 | 1966Herzberg | ||||
rNO | 1.184 | 2 | 3 | 1966Herzberg | ||||
aNNO | 180 | 1 | 2 | 3 | 1966Herzberg |