Iodine monochloride
- Formula: ClI
- Molecular weight: 162.357
- IUPAC Standard InChI: InChI=1S/ClI/c1-2
- IUPAC Standard InChIKey: QZRGKCOWNLSUDK-UHFFFAOYSA-N
- CAS Registry Number: 7790-99-0
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
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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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 17.51 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 247.56 | J/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1965 |
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) | 1000. to 6000. |
|---|---|
| A | 37.27622 |
| B | 0.564079 |
| C | -0.032190 |
| D | 0.002749 |
| E | -0.170462 |
| F | 5.795551 |
| G | 291.5466 |
| H | 17.50602 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1965 |
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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -23.93 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 136.17 | J/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1965 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -35.42 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 97.92 | J/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Liquid 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) | 301. to 1000. |
|---|---|
| A | 115.0600 |
| B | -41.83970 |
| C | -0.000308 |
| D | 0.000113 |
| E | 0.000004 |
| F | -56.31640 |
| G | 288.0570 |
| H | -23.92900 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1965 |
Solid 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.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | 298. to 300.53 |
|---|---|
| A | 41.89230 |
| B | 52.58570 |
| C | -11.84370 |
| D | -3.544191 |
| E | -0.099479 |
| F | -50.47310 |
| G | 132.9340 |
| H | -35.42170 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1965 |
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:
B - John E. Bartmess
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
+
= (
•
)
By formula: F- + ClI = (F- • ClI)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 395.0 | kJ/mol | Ther | Finch, Gates, et al., 1977 | gas phase; This value is far more strongly bound than expected from other X3- data; B |
| ΔrH° | 181.2 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeH2-(q); ; ΔS(EA)=8.2; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 138.1 | kJ/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeH2-(q); ; ΔS(EA)=8.2; B |
+
=
+
By formula: I2 + CClF3 = CF3I + ClI
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 72.3 ± 1.1 | kJ/mol | Eqk | Lord, Goy, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 71.55 ± 0.71 kJ/mol; ALS |
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:
L - Sharon G. Lias
Data compiled as indicated in comments:
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
B - John E. Bartmess
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 10.08 ± 0.01 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.78487 | R-A | Refaey and Franklin, 1977 | I- + NOCl ->.; B |
| 2.41 ± 0.10 | NBIE | Auerbach, Hubers, et al., 1973 | B |
| 1.480 ± 0.050 | NBIE | Hubers, Kleyn, et al., 1976 | Stated electron affinity is the Vertical Detachment Energy; B |
| 3.04178 | N/A | Check, Faust, et al., 2001 | FeH-; ; ΔS(EA)=5.3; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.08 | EVAL | Huber and Herzberg, 1979 | LLK |
| 10.09 ± 0.01 | S | Venkateswarlu, 1975 | LLK |
| 9.95 | PE | Potts and Price, 1971 | LLK |
| 10.07 ± 0.01 | PI | Dibeler, Walker, et al., 1971 | LLK |
| 10.10 | PE | Dyke, Josland, et al., 1984 | Vertical value; LBLHLM |
| 10.10 ± 0.02 | PE | Potts and Price, 1971 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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]
Finch, Gates, et al., 1977
Finch, A.; Gates, P.N.; Peake, S.J.,
Thermochemistry of polyhalides. III. Cesium and rubidium tetrachloroiodates,
J. Inorg. Nucl. Chem., 1977, 39, 2135. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [all data]
Lord, Goy, et al., 1967
Lord, A.; Goy, C.A.; Pritchard, H.O.,
The heats of formation of trifluoromethyl chloride and bromide,
J. Phys. Chem., 1967, 71, 2705-2707. [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]
Refaey and Franklin, 1977
Refaey, K.M.A.; Franklin, J.L.,
Endoergic ion-molecule collision processes of negative ions. VI. Collisions of I- on (CN)2 and NOCl,
Int. J. Mass Spectrom. Ion Phys., 1977, 23, 13. [all data]
Auerbach, Hubers, et al., 1973
Auerbach, D.J.; Hubers, M.M.; Baeda, A.P.M.; Los, J.,
Chemi-ionization in alkali-heteronuclear halogen collisions: Role of excited molecular ion states,
Chem. Phys., 1973, 2, 107. [all data]
Hubers, Kleyn, et al., 1976
Hubers, M.M.; Kleyn, A.W.; Los, J.,
Ion pair formation in alkali-halogen collisions at high velocities,
Chem. Phys., 1976, 17, 303. [all data]
Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G.,
Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]
Venkateswarlu, 1975
Venkateswarlu, P.,
The vacuum ultraviolet spectrum of ICl,
Can. J. Phys., 1975, 53, 812. [all data]
Potts and Price, 1971
Potts, A.W.; Price, W.C.,
Photoelectron spectra of the halogens and mixed halides ICI and lBr,
J. Chem. Soc. Faraday Trans., 1971, 67, 1242. [all data]
Dibeler, Walker, et al., 1971
Dibeler, V.H.; Walker, J.A.; McCulloh, K.E.; Rosenstock, H.M.,
Effect of hot bands on the ionization threshold of some diatomic halogen molecules,
Intern. J. Mass Spectrom. Ion Phys., 1971, 7, 209. [all data]
Dyke, Josland, et al., 1984
Dyke, J.M.; Josland, G.D.; Snijders, J.G.; Boerrigter, P.M.,
Ionization energies of the diatomic halogens and interhalogens studied with relativistic hartree-fock-slater calculations,
Chem. Phys., 1984, 91, 419. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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