Cyanogen iodide
- Formula: CIN
- Molecular weight: 152.9219
- IUPAC Standard InChIKey: WPBXOELOQKLBDF-UHFFFAOYSA-N
- CAS Registry Number: 506-78-5
- Chemical structure:
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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 |
---|---|---|---|---|---|
ΔvapH° | 9.56 ± 0.08 | kcal/mol | V | Ketellaar and Kruyer, 1943 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 14.30 ± 0.10 | kcal/mol | V | Lord and Woolf, 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = 14.1 kcal/mol; Heat of hydrolysis; ALS |
ΔsubH° | 14.31 ± 0.04 | kcal/mol | V | Ketellaar and Kruyer, 1943 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.56 | 423. | A | Stephenson and Malanowski, 1987 | Based 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 414.3 | 7.77864 | 3335.292 | 14.533 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.3 ± 0.1 | 337. to 426. | GSM | Ketelaar and Kruyer, 2010 | See also Cox and Pilcher, 1970, 2.; AC |
14.3 | 352. | GSM | Stephenson and Malanowski, 1987 | Based on data from 337. to 426. K. See also Ketelaar and Kruyer, 2010.; AC |
14.0 | 356. | A | Stull, 1947 | Based on data from 298. to 414. K.; AC |
13.9 | 326. | N/A | Yost and Stone, 1933 | Based on data from 278. to 374. K.; AC |
Gas phase ion energetics data
Go To: Top, Phase change data, 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.870 ± 0.001 | S | Myer and Samson, 1970 | RDSH |
10.91 | PE | Lake and Thompson, 1970 | RDSH |
10.91 ± 0.02 | PE | Heilbronner, Hornung, et al., 1970 | RDSH |
10.87 ± 0.02 | PI | Dibeler and Liston, 1967 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CI+ | 17.6 ± 0.3 | N | EI | Herron and Dibeler, 1960 | RDSH |
CN+ | 18.1 ± 0.1 | I | EI | Herron and Dibeler, 1960 | RDSH |
I+ | 13.62 ± 0.02 | CN | PI | Dibeler and Liston, 1967 | RDSH |
I+ | 9.8 ± 0.1 | CN- | EI | Herron and Dibeler, 1960 | RDSH |
Vibrational and/or electronic energy levels
Go To: Top, Phase change data, Gas phase ion energetics 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: Cxν Symmetry Number σ = 1
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
σ+ | 1 | CN str | 2188 | C | 2188.0 | gas | ||||
π | 2 | Deform | 305 | C | 304.5 | gas | ||||
σ+ | 3 | CI str | 486 | C | 485.8 | gas | ||||
Source: Shimanouchi, 1972
Notes
C | 3~6 cm-1 uncertainty |
References
Go To: Top, Phase change data, Gas phase ion energetics 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.
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]
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]
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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- Symbols used in this document:
AE Appearance energy ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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