Cyanogen iodide
- Formula: CIN
- Molecular weight: 152.9219
- IUPAC Standard InChI: InChI=1S/CIN/c2-1-3
- IUPAC Standard InChIKey: WPBXOELOQKLBDF-UHFFFAOYSA-N
- CAS Registry Number: 506-78-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | 225.94 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1969 |
| ΔfH°gas | 224.6 ± 4.3 | kJ/mol | Cm | Lord and Woolf, 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = 219. kJ/mol; Heat of hydrolysis; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 257.34 | J/mol*K | Review | Chase, 1998 | Data 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 (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 1200. | 1200. to 6000. |
|---|---|---|
| A | 49.26325 | 60.08266 |
| B | 7.560865 | 1.205993 |
| C | 3.675051 | -0.234558 |
| D | -2.880508 | 0.015758 |
| E | -0.297113 | -4.021343 |
| F | 209.8895 | 199.1258 |
| G | 312.8946 | 318.3991 |
| H | 225.9364 | 225.9364 |
| Reference | Chase, 1998 | Chase, 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 |
|---|---|---|---|---|---|
| ΔfH°solid | 164.8 ± 4.3 | kJ/mol | Cm | Lord and Woolf, 1954 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 160. kJ/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 |
|---|---|---|---|---|---|
| ΔvapH° | 40.0 ± 0.3 | kJ/mol | V | Ketellaar and Kruyer, 1943 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 59.83 ± 0.42 | kJ/mol | V | Lord and Woolf, 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = 59.0 kJ/mol; Heat of hydrolysis; ALS |
| ΔsubH° | 59.9 ± 0.2 | kJ/mol | V | Ketellaar and Kruyer, 1943 | ALS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 40.0 | 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 (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 298.4 to 414.3 | 7.78435 | 3335.292 | 14.533 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 59.8 ± 0.4 | 337. to 426. | GSM | Ketelaar and Kruyer, 2010 | See also Cox and Pilcher, 1970, 2.; AC |
| 59.9 | 352. | GSM | Stephenson and Malanowski, 1987 | Based on data from 337. to 426. K. See also Ketelaar and Kruyer, 2010.; AC |
| 58.6 | 356. | A | Stull, 1947 | Based on data from 298. to 414. K.; AC |
| 58.3 | 326. | N/A | Yost and Stone, 1933 | Based on data from 278. to 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
2 +
=
+
+ CNO.Na
By formula: 2HNaO + CIN = INa + H2O + CNO.Na
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -193.9 ± 0.3 | kJ/mol | Cm | Lord and Woolf, 1954 | solid 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 ± 0.001 | 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
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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: 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, 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
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, References
- Symbols used in this document:
AE Appearance energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrH° Enthalpy of reaction at standard conditions 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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