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
Δfgas54.001kcal/molReviewChase, 1998Data last reviewed in June, 1969
Δfgas53.7 ± 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. to 1200.1200. to 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
Δfsolid39.4 ± 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
Δvap9.56 ± 0.08kcal/molVKetellaar and Kruyer, 1943ALS
Quantity Value Units Method Reference Comment
Δsub14.30 ± 0.10kcal/molVLord and Woolf, 1954Reanalyzed by Cox and Pilcher, 1970, Original value = 14.1 kcal/mol; Heat of hydrolysis; ALS
Δsub14.31 ± 0.04kcal/molVKetellaar and Kruyer, 1943ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
9.56423.AStephenson and Malanowski, 1987Based on data from 419. to 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 to 414.37.778643335.29214.533Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

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

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

References

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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]


Notes

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