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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Gas phase thermochemistry data
Go To: Top, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 309.07 | kJ/mol | Review | Chase, 1998 | Data last reviewed in March, 1961 |
| ΔfH°gas | 308.9 ± 1.8 | kJ/mol | Ccb | Knowlton and Prosen, 1951 | ALS |
| ΔfH°gas | 263. | kJ/mol | Cm | McMorris and Badger, 1933 | ALS |
| ΔfH°gas | 306.7 ± 0.84 | kJ/mol | Ccb | Wartenberg and Schutza, 1933 | Reanalyzed by Cox and Pilcher, 1970, Original value = 305. ± 0.8 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°gas | -1096.0 ± 1.8 | kJ/mol | Ccb | Knowlton and Prosen, 1951 | ALS |
| ΔcH°gas | -1051.9 ± 5.0 | kJ/mol | Cm | McMorris and Badger, 1933 | ALS |
| ΔcH°gas | -1093.7 ± 0.84 | kJ/mol | Ccb | Wartenberg and Schutza, 1933 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1093. ± 0.8 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 241.57 | J/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1961 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1300. | 1300. to 6000. |
|---|---|---|
| A | 51.69290 | 83.01014 |
| B | 36.79351 | 2.209166 |
| C | -12.46154 | -0.419735 |
| D | 0.701803 | 0.027676 |
| E | -0.428743 | -9.308648 |
| F | 290.6951 | 264.0342 |
| G | 291.2884 | 315.7192 |
| H | 309.0725 | 309.0725 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in March, 1961 | Data last reviewed in March, 1961 |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS; Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- GAS (280 mmHg DILUTED TO A TOTAL PRESSURE OF 600 mmHg WITH N2); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- GAS (280 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, 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 |
Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 20. | 259.2 | Do and Raulin, 1992 | 25. m/0.15 mm/2. μm, H2 |
| Capillary | PoraPLOT Q | 160. | 273. | Do and Raulin, 1989 | 10. m/0.32 mm/10. μm, H2 |
References
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Knowlton and Prosen, 1951
Knowlton, J.W.; Prosen, E.J.,
Heat of combustion and formation of cyanogen,
J. Res. NBS, 1951, 46, 489-495. [all data]
McMorris and Badger, 1933
McMorris, J.; Badger, R.M.,
The heat of combustion, entropy and free energy of cyanogen gas,
J. Am. Chem. Soc., 1933, 55, 1952-1957. [all data]
Wartenberg and Schutza, 1933
Wartenberg, H.V.; Schutza, H.,
Die verbrennungswarme des cyans,
Z. Phys. Chem., 1933, 164, 386-388. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]
Do and Raulin, 1992
Do, L.; Raulin, F.,
Gas chromatography of Titan's atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary column,
J. Chromatogr., 1992, 591, 1-2, 297-301, https://doi.org/10.1016/0021-9673(92)80247-R
. [all data]
Do and Raulin, 1989
Do, L.; Raulin, F.,
Gas chromatography of Titan's atmosphere. I. Analysis of low-molecular-weight hydrocarbons and nitriles with a PoraPLOT Q porous polymer coated open-tubular capillary column,
J. Chromatogr., 1989, 481, 45-54, https://doi.org/10.1016/S0021-9673(01)96751-2
. [all data]
Notes
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- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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