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Cyanogen

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Gas phase thermochemistry data

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas309.07kJ/molReviewChase, 1998Data last reviewed in March, 1961
Deltafgas308.9 ± 1.8kJ/molCcbKnowlton and Prosen, 1951ALS
Deltafgas263.kJ/molCmMcMorris and Badger, 1933ALS
Deltafgas306.7 ± 0.84kJ/molCcbWartenberg and Schutza, 1933Reanalyzed by Cox and Pilcher, 1970, Original value = 305. ± 0.8 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacgas-1096.0 ± 1.8kJ/molCcbKnowlton and Prosen, 1951ALS
Deltacgas-1051.9 ± 5.0kJ/molCmMcMorris and Badger, 1933ALS
Deltacgas-1093.7 ± 0.84kJ/molCcbWartenberg and Schutza, 1933Reanalyzed by Cox and Pilcher, 1970, Original value = -1093. ± 0.8 kJ/mol; ALS
Quantity Value Units Method Reference Comment
gas,1 bar241.57J/mol*KReviewChase, 1998Data 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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View table.

Temperature (K) 298. - 1300.1300. - 6000.
A 51.6929083.01014
B 36.793512.209166
C -12.46154-0.419735
D 0.7018030.027676
E -0.428743-9.308648
F 290.6951264.0342
G 291.2884315.7192
H 309.0725309.0725
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1961 Data last reviewed in March, 1961

Condensed phase thermochemistry data

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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: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid138.83J/mol*KN/ARuehrwein and Giauque, 1939 

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
105.73255.Ruehrwein and Giauque, 1939T = 15 to 252 K.

Phase change data

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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil252.0KN/AWeast and Grasselli, 1989BS
Tboil252.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Ttriple245.32KN/ARuehrwein and Giauque, 1939, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Ptriple0.751barN/AHamann, Mcmanamey, et al., 1953Uncertainty assigned by TRC = 0.0133 bar; TRC
Quantity Value Units Method Reference Comment
Deltavap20.8kJ/molN/AMajer and Svoboda, 1985 

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
23.330252.0N/ARuehrwein and Giauque, 1939P = 101.325 kPa; DH
23.33252.N/AMajer and Svoboda, 1985 
24.5246.AStephenson and Malanowski, 1987Based on data from 240. - 253. K.; AC
23.3 ± 0.2251.95VRuehrwein and Giauque, 1939, 3ALS
23.9257.N/APerry and Bardwell, 1925Based on data from 246. - 273. K.; AC
23.5267.N/APerry and Bardwell, 1925Based on data from 246. - 273. K.; AC

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
92.58252.0Ruehrwein and Giauque, 1939P; DH

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
252. - 391.34.516611041.518-21.288Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
33.0224.N/AStephenson and Malanowski, 1987Based on data from 202. - 239. K.; AC
32.4224.N/AGovers, 1975Based on data from 198. - 240. K. See also Perry and Bardwell, 1925.; AC
33.6204.AStull, 1947Based on data from 177. - 230. K.; AC
34.4202. - 245.CATHRuehrwein and Giauque, 1939AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
8.109245.32Ruehrwein and Giauque, 1939DH
8.11245.3Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
33.05245.32Ruehrwein and Giauque, 1939DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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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 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

NH4+ + Cyanogen = (NH4+ bullet Cyanogen)

By formula: H4N+ + C2N2 = (H4N+ bullet C2N2)

Quantity Value Units Method Reference Comment
Deltar43.5kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<; M
Quantity Value Units Method Reference Comment
Deltar96.J/mol*KN/ASpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<; M

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
13.315.PHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<; M

Cyanogen + Ethane, hexafluoro- = 2Acetonitrile, trifluoro-

By formula: C2N2 + C2F6 = 2C2F3N

Quantity Value Units Method Reference Comment
Deltar44.10 ± 0.59kJ/molEqkWalker, Sinke, et al., 1970gas phase; ALS

Henry's Law data

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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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.19 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species. Value at T = 293. K.

Gas phase ion energetics data

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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)13.37 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)674.7kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity645.8kJ/molN/AHunter and Lias, 1998HL

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
622.8Milligan, Fairley, et al., 1998T = 300K; «DELTA»G =-RTln(kf/kr) from ratio of rate coefficients; MM
621.7Milligan, Fairley, et al., 1998T = 300K; «DELTA»G =-RTln(kf/kr) from ratio of rate coefficients; MM
<642.Milligan, Fairley, et al., 1998Irreversible PT from C2N2 to C2H5+; MM

Ionization energy determinations

IE (eV) Method Reference Comment
13.5 ± 0.3EISmith, 1983LBLHLM
13.36 ± 0.01PIBaker and Turner, 1968RDSH
13.374 ± 0.008PIDibeler and Liston, 1967RDSH
13.5EIDorsch and Kallman, 1930RDSH
13.51PEAsbrink, Von Niessen, et al., 1980Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+22.5C+N2EIDorsch and Kallman, 1930RDSH
CN+20.9 ± 0.3CNEISmith, 1983LBLHLM
CN+20.4CNEIHaney and Franklin, 1968RDSH
CN+20.42 ± 0.02CNPIDibeler and Liston, 1967RDSH
CN+18.CNEIDorsch and Kallman, 1930RDSH
C2+18.0 ± 0.3N2EISmith, 1983LBLHLM
C2+17.46 ± 0.02N2PIDibeler and Liston, 1967RDSH
C2+17.N2EIDorsch and Kallman, 1930RDSH
C2N+18.84 ± 0.05NEIHarland and McIntosh, 1985LBLHLM
C2N+19.5 ± 0.3NEISmith, 1983LBLHLM
C2N+19.5 ± 0.1NEIDibeler, Reese, et al., 1961RDSH

Ion clustering data

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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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

NH4+ + Cyanogen = (NH4+ bullet Cyanogen)

By formula: H4N+ + C2N2 = (H4N+ bullet C2N2)

Quantity Value Units Method Reference Comment
Deltar43.5kJ/molPHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<
Quantity Value Units Method Reference Comment
Deltar96.J/mol*KN/ASpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
13.315.PHPMSSpeller and Meot-Ner (Mautner), 1985gas phase; Entropy change calculated or estimated, DG<, «DELTA»rH<

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin A.A.Kutin, Moscow, Russia
NIST MS number 273361

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Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   Dxh     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

«sigma»g+ 1 CN s-str 2330  B 2339.9 gas 2330.5 gas Determined from difference bands
«sigma»g+ 2 NN str 846  C  ia 845.5 gas
«sigma»u+ 3 CN a-str 2158  A 2157.83 gas  ia
«pi»g 4 CCN bend 503  C  ia 502.8 gas
«pi»u 5 CCN bend 234  B 233.1 gas 233.7 gas Determined from difference bands

Source: Shimanouchi, 1972

Notes

iaInactive
A0~1 cm-1 uncertainty
B1~3 cm-1 uncertainty
C3~6 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCP Sil 5 CB20.259.2Do and Raulin, 199225. m/0.15 mm/2. «mu»m, H2
CapillaryPoraPLOT Q160.273.Do and Raulin, 198910. m/0.32 mm/10. «mu»m, H2

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, 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]

Ruehrwein and Giauque, 1939
Ruehrwein, R.A.; Giauque, W.F., The entropy of cyanogen. Heat capacity and vapor pressure of solid and liquid. Heats of fusion and vaporization, J. Am. Chem. Soc., 1939, 61, 2940-2944. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Ruehrwein and Giauque, 1939, 2
Ruehrwein, R.A.; Giauque, W.F., The entropy of cyanogen heat capacity and vapor pressure of solid and liquid heats of fusion and vaporization, J. Am. Chem. Soc., 1939, 61, 2940-4. [all data]

Hamann, Mcmanamey, et al., 1953
Hamann, S.D.; Mcmanamey, W.J.; Pearse, J.F., The forces between polyatomic molecules, Trans. Faraday Soc., 1953, 49, 351. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Ruehrwein and Giauque, 1939, 3
Ruehrwein, R.A.; Giauque, W.F., The entropy of cyanogen. Heat capacity and vapor pressure of solid and liquid. Heats of fusion and vaporization, J. Am. Chem. Soc., 1939, 61, 2940-29. [all data]

Perry and Bardwell, 1925
Perry, John H.; Bardwell, D.C., THE VAPOR PRESSURES OF SOLID AND LIQUID CYANOGEN 1, J. Am. Chem. Soc., 1925, 47, 11, 2629-2632, https://doi.org/10.1021/ja01688a002 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Govers, 1975
Govers, H.A.J., Derivation of carbon--nitrogen, hydrogen--nitrogen and nitrogen--nitrogen non-bonded potential parameters in molecular crystals, Acta Crystallogr Sect A Cryst Phys Diffr Theor Gen Crystallogr', 1975, 31, 3, 380-385, https://doi.org/10.1107/S0567739475000800 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

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]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Milligan, Fairley, et al., 1998
Milligan, D.B.; Fairley, D.A.; Meot-Ner (Mautner), M.; McEwan, M.J., Proton affinity of cyanogen and association reactions of C2N2H+ and C2N2CH3+, Int. J. Mass Spectrom., 1998, 180, 285. [all data]

Smith, 1983
Smith, O.I., Cross sections for formation of parent and fragment ions by electron impact from C2N2, Int. J. Mass Spectrom. Ion Processes, 1983, 54, 55. [all data]

Baker and Turner, 1968
Baker, C.; Turner, D.W., High resolution molecular photoelectron spectroscopy. III.Acetylenes and azaacetylenes, Proc. Roy. Soc. (London), 1968, A308, 19. [all data]

Dibeler and Liston, 1967
Dibeler, V.H.; Liston, S.K., Mass-spectrometric study of photoionization. VIII.Dicyanogen and the cyanogen halides, J. Chem. Phys., 1967, 47, 4548. [all data]

Dorsch and Kallman, 1930
Dorsch, K.E.; Kallman, H., Uber die Ionisierung von Dicyan durch langsame Elektronen, Z. Phys., 1930, 60, 376. [all data]

Asbrink, Von Niessen, et al., 1980
Asbrink, L.; Von Niessen, W.; Bieri, G., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1980, 21, 93. [all data]

Haney and Franklin, 1968
Haney, M.A.; Franklin, J.L., Correlation of excess energies of electron-impact dissociations with the translational energies of the products, J.Chem. Phys., 1968, 48, 4093. [all data]

Harland and McIntosh, 1985
Harland, P.W.; McIntosh, B.J., Enthalpies of formation for the isomeric ions HxCCN+ and HxCNC+ (x = 0-3) by monochromatic electron impact on C2N2, CH3CN and CH3NC., Int. J. Mass Spectrom. Ion Processes, 1985, 67, 29. [all data]

Dibeler, Reese, et al., 1961
Dibeler, V.H.; Reese, R.M.; Franklin, J.L., Mass spectrometric study of cyanogen and cyanoacetylenes, J. Am. Chem. Soc., 1961, 83, 1813. [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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, References