Hydrogen iodide
- Formula: HI
- Molecular weight: 127.91241
- IUPAC Standard InChIKey: XMBWDFGMSWQBCA-UHFFFAOYSA-N
- CAS Registry Number: 10034-85-2
- 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
Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering data, References, Notes
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 | 6.334 ± 0.024 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | 6.300 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1961 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 49.376 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1961 |
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 1400. | 1400. to 6000. |
---|---|---|
A | 6.225000 | 8.471219 |
B | 1.120860 | 0.338123 |
C | 1.173941 | -0.043520 |
D | -0.634416 | 0.002813 |
E | 0.029020 | -0.969063 |
F | 4.482551 | 1.892711 |
G | 56.69259 | 57.38760 |
H | 6.299960 | 6.299960 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1961 | Data last reviewed in September, 1961 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 222.15 | K | N/A | Beckmann and Waentig, 1910 | Uncertainty assigned by TRC = 1.5 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
4.73 | 238. | C | Giauque and Wiebe, 1929 | 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 |
---|---|---|---|---|---|
149.8 to 238.1 | 4.26283 | 939.994 | -18.012 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Ion clustering data, References, Notes
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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to HI+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.386 ± 0.001 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 150.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 143.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.38 | PE | Kimura, Katsumata, et al., 1981 | LLK |
10.386 ± 0.001 | S | Eland and Berkowitz, 1977 | LLK |
10.38 ± 0.01 | PE | Lempka, Passmore, et al., 1968 | RDSH |
10.42 ± 0.01 | PE | Frost, McDowell, et al., 1967 | RDSH |
10.38 ± 0.02 | PI | Watanabe, 1957 | RDSH |
10.3 ± 0.1 | EI | Friedman, 1955 | RDSH |
~10.39 | S | Price, 1938 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
I+ | 13.49 ± 0.13 | ? | PI | Eland and Berkowitz, 1977 | LLK |
De-protonation reactions
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 314.350 ± 0.020 | kcal/mol | D-EA | Pelaez, Blondel, et al., 2009 | gas phase; Given: 3.0590463(38) eV; B |
ΔrH° | 313.60 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe(CO)2-(q); ; ΔS(EA)=5.0; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 309.280 ± 0.060 | kcal/mol | H-TS | Pelaez, Blondel, et al., 2009 | gas phase; Given: 3.0590463(38) eV; B |
ΔrG° | 308.50 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe(CO)2-(q); ; ΔS(EA)=5.0; B |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: I- + HI = (I- • HI)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.0 ± 2.0 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(I-)SO2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.7 ± 2.6 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.7 | 300. | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(I-)SO2; M |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Beckmann and Waentig, 1910
Beckmann, E.; Waentig, P.,
Cryoscopic Measurements at Low Temperatures,
Z. Anorg. Chem., 1910, 67, 17. [all data]
Giauque and Wiebe, 1929
Giauque, W.F.; Wiebe, R.,
THE HEAT CAPACITY OF HYDROGEN IODIDE FROM 15°K. TO ITS BOILING POINT AND ITS HEAT OF VAPORIZATION. THE ENTROPY FROM SPECTROSCOPIC DATA,
J. Am. Chem. Soc., 1929, 51, 5, 1441-1449, https://doi.org/10.1021/ja01380a019
. [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]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Eland and Berkowitz, 1977
Eland, J.H.D.; Berkowitz, J.,
Photoionization mass spectrometry of HI and DI at high resolution,
J. Chem. Phys., 1977, 67, 5034. [all data]
Lempka, Passmore, et al., 1968
Lempka, H.J.; Passmore, T.R.; Price, W.C.,
The photoelectron spectra and ionized states of the halogen acids,
Proc. Roy. Soc. (London), 1968, A304, 53. [all data]
Frost, McDowell, et al., 1967
Frost, D.C.; McDowell, C.A.; Vroom, D.A.,
Photoelectron spectra of the halogens and the hydrogen halides,
J. Chem. Phys., 1967, 46, 4255. [all data]
Watanabe, 1957
Watanabe, K.,
Ionization potentials of some molecules,
J. Chem. Phys., 1957, 26, 542. [all data]
Friedman, 1955
Friedman, L.,
Mass spectrum of lithium iodide,
J. Chem. Phys., 1955, 23, 477. [all data]
Price, 1938
Price, W.C.,
The absorption spectra of the halogen acids in the vacuum ultra-violet,
Proc. Roy. Soc. (London), 1938, A167, 216. [all data]
Pelaez, Blondel, et al., 2009
Pelaez, R.J.; Blondel, C.; Delsart, C.; Drag, C.,
Pulsed photodetachment microscopy and the electron affinity of iodine,
J. Phys. B: Atom. Mol. Opt. Phys., 2009, 42, 12, 125001, https://doi.org/10.1088/0953-4075/42/12/125001
. [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]
Caldwell and Kebarle, 1985
Caldwell, G.; Kebarle, P.,
The hydrogen bond energies of the bihalide ions XHX- and YHX-,
Can. J. Chem., 1985, 63, 1399. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas Entropy of gas at standard conditions S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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