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Cyanogen iodide


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
Deltafgas54.001kcal/molReviewChase, 1998Data last reviewed in June, 1969
Deltafgas53.7 ± 1.0kcal/molCmLord and Woolf, 1954Reanalyzed by Cox and Pilcher, 1970, Original value = 52.4 kcal/mol; Heat of hydrolysis; ALS
Quantity Value Units Method Reference Comment
gas,1 bar61.506cal/mol*KReviewChase, 1998Data last reviewed in June, 1969

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A 11.7742014.36010
B 1.8070910.288239
C 0.878358-0.056061
D -0.6884580.003766
E -0.071012-0.961124
F 50.1647947.59221
G 74.7836076.09921
H 54.0001054.00010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1969 Data last reviewed in June, 1969

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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid39.4 ± 1.0kcal/molCmLord and Woolf, 1954Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 38.3 kcal/mol; Heat of hydrolysis

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltavap9.56 ± 0.08kcal/molVKetellaar and Kruyer, 1943ALS
Quantity Value Units Method Reference Comment
Deltasub14.30 ± 0.10kcal/molVLord and Woolf, 1954Reanalyzed by Cox and Pilcher, 1970, Original value = 14.1 kcal/mol; Heat of hydrolysis; ALS
Deltasub14.31 ± 0.04kcal/molVKetellaar and Kruyer, 1943ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.56423.AStephenson and Malanowski, 1987Based on data from 419. - 426. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
298.4 - 414.37.778643335.29214.533Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
14.3 ± 0.1337. - 426.GSMKetelaar and Kruyer, 2010See also Cox and Pilcher, 1970, 2.; AC
14.3352.GSMStephenson and Malanowski, 1987Based on data from 337. - 426. K. See also Ketelaar and Kruyer, 2010.; AC
14.0356.AStull, 1947Based on data from 298. - 414. K.; AC
13.9326.N/AYost and Stone, 1933Based on data from 278. - 374. K.; AC

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 by: 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

2Sodium hydroxide + Cyanogen iodide = Sodium iodide + Water + CNO.Na

By formula: 2HNaO + CIN = INa + H2O + CNO.Na

Quantity Value Units Method Reference Comment
Deltar-46.35 ± 0.08kcal/molCmLord and Woolf, 1954solid phase; Heat of hydrolysis

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 compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
10.870 ± 0.001SMyer and Samson, 1970RDSH
10.91PELake and Thompson, 1970RDSH
10.91 ± 0.02PEHeilbronner, Hornung, et al., 1970RDSH
10.87 ± 0.02PIDibeler and Liston, 1967RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CI+17.6 ± 0.3NEIHerron and Dibeler, 1960RDSH
CN+18.1 ± 0.1IEIHerron and Dibeler, 1960RDSH
I+13.62 ± 0.02CNPIDibeler and Liston, 1967RDSH
I+9.8 ± 0.1CN-EIHerron and Dibeler, 1960RDSH

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:   Cxnu     Symmetry Number sigma = 1


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

«sigma»+ 1 CN str 2188  C 2188.0 gas
«pi» 2 Deform 305  C 304.5 gas
«sigma»+ 3 CI str 486  C 485.8 gas

Source: Shimanouchi, 1972

Notes

C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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]

Lord and Woolf, 1954
Lord, G.; Woolf, A.A., The cyanogen halides. Part III. Their heats of formation and free energies, J. Chem. Soc., 1954, 2546-2551. [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]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Ketellaar and Kruyer, 1943
Ketellaar, J.A.A.; Kruyer, S., Der dampfdrunk des jodcyans, Rec. Trav. Chim. Pays-Bas, 1943, 62, 550-552. [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]

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]

Ketelaar and Kruyer, 2010
Ketelaar, J.A.A.; Kruyer, S., Der Dampfdruck des Jodcyans, Recl. Trav. Chim. Pays-Bas, 2010, 62, 8, 550-552, https://doi.org/10.1002/recl.19430620810 . [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Yost and Stone, 1933
Yost, Don M.; Stone, William E., The Complex Ions Formed by Iodine Cyanide with Cyanide and Iodide Ions. The Vapor Pressure, Free Energy and Dissociation of Iodine Cyanide, J. Am. Chem. Soc., 1933, 55, 5, 1889-1895, https://doi.org/10.1021/ja01332a015 . [all data]

Myer and Samson, 1970
Myer, J.A.; Samson, J.A.R., Vacuum-ultraviolet absorption cross sections of CO, HCI, and ICN between 1050 and 2100 A, J. Chem. Phys., 1970, 52, 266. [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., The photoelectron spectra of some molecules containing the C N group, Proc. Roy. Soc. (London), 1970, A317, 187. [all data]

Heilbronner, Hornung, et al., 1970
Heilbronner, E.; Hornung, V.; Muszkat, K.A., Die Photoelektron-Spektren von Chlor-, Brom- und Jodcyan, Helv. Chim. Acta, 1970, 53, 347. [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]

Herron and Dibeler, 1960
Herron, J.T.; Dibeler, V.H., Electron impact study of the cyanogen halides, J. Am. Chem. Soc., 1960, 82, 1555. [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

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