Cyanogen
- Formula: C2N2
- Molecular weight: 52.0348
- IUPAC Standard InChI: InChI=1S/C2N2/c3-1-2-4
- IUPAC Standard InChIKey: JMANVNJQNLATNU-UHFFFAOYSA-N
- CAS Registry Number: 460-19-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Ethanedinitrile; Cyanogen (C2N2); Carbon nitride (C2N2); Dicyanogen; Nitriloacetonitrile; Oxalic acid dinitrile; Oxalonitrile; NCCN; Dicyan; Cyanogen gas; Carbon nitride; Cyanogene; Oxalic nitrile; Prussite; Rcra waste number P031; UN 1026; (CN)2; Oxalyl cyanide
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Reaction thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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Individual Reactions
+
= (
•
)
By formula: H4N+ + C2N2 = (H4N+ • C2N2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 43.5 | kJ/mol | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 96. | J/mol*K | N/A | Speller and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
Free energy of reaction
| ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 13. | 315. | PHPMS | Speller and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated, DG<, ΔrH<; M |
+
= 2
By formula: C2N2 + C2F6 = 2C2F3N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 44.10 ± 0.59 | kJ/mol | Eqk | Walker, Sinke, et al., 1970 | gas phase; ALS |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: Dxh Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| σg+ | 1 | CN s-str | 2330 | B | 2339.9 | gas | 2330.5 | gas | Determined from difference bands | |
| σg+ | 2 | NN str | 846 | C | ia | 845.5 | gas | |||
| σu+ | 3 | CN a-str | 2158 | A | 2157.83 | gas | ia | |||
| πg | 4 | CCN bend | 503 | C | ia | 502.8 | gas | |||
| πu | 5 | CCN bend | 234 | B | 233.1 | gas | 233.7 | gas | Determined from difference bands | |
Source: Shimanouchi, 1972
Notes
| ia | Inactive |
| A | 0~1 cm-1 uncertainty |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
References
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Speller and Meot-Ner (Mautner), 1985
Speller, C.V.; Meot-Ner (Mautner), M.,
The Ionic Hydrogen Bond and Ion Solvation. 3. Bonds Involving Cyanides. Correlations with Proton Affinites,
J. Phys. Chem., 1985, 81, 24, 5217, https://doi.org/10.1021/j100270a020
. [all data]
Walker, Sinke, et al., 1970
Walker, L.C.; Sinke, G.C.; Perettie, D.J.; Janz, G.J.,
Enthalpy of formation of trifluoroacetonitrile,
J. Am. Chem. Soc., 1970, 92, 4525-4526. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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