potassium chloride
- Formula: ClK
- Molecular weight: 74.551
- IUPAC Standard InChI: InChI=1S/ClH.K/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: WCUXLLCKKVVCTQ-UHFFFAOYSA-M
- CAS Registry Number: 7447-40-7
- 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, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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 | -214.68 | kJ/mol | Review | Chase, 1998 | Data last reviewed in March, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 239.09 | J/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1966 |
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) | 2000. to 6000. |
|---|---|
| A | 37.37274 |
| B | 0.792353 |
| C | -0.009700 |
| D | 0.000827 |
| E | -0.099557 |
| F | -226.1929 |
| G | 283.5175 |
| H | -214.6815 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in March, 1966 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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: K+ + ClK = (K+ • ClK)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 172. | kJ/mol | MS | Chupka, 1959 | gas phase; Knudsen cell; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 82.0 | J/mol*K | MS | Chupka, 1959 | gas phase; Knudsen cell; M |
3 +
= 3
+ KClO3
By formula: 3C5H5NO + ClK = 3C5H5N + KClO3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 315. ± 10. | kJ/mol | Cm | Shaofeng and Pilcher, 1988 | solid phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Constants of diatomic molecules, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.582 ± 0.010 | LPES | Miller, Leopold, et al., 1986 | B |
| 0.629995 | NBAE | De Vreugd, Wijnaendts van Resandt, et al., 1979 | B |
| >1.27001 | EIAE | Ebinghaus, 1964 | From (KCl)2; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.5 | EI | Itoh, Sasamoto, et al., 1981 | LLK |
| 8.3 | EI | Bloom and Williams, 1981 | LLK |
| 8.4 ± 0.1 | PE | Potts and Price, 1977 | LLK |
| 8.4 ± 0.1 | PE | Potts, Williams, et al., 1974 | LLK |
| 10.1 | EI | Grimley and Joyce, 1969 | RDSH |
| 8.0 ± 0.3 | EI | Bloom, Hastie, et al., 1968 | RDSH |
| 8.7 | PE | Goodman, Allen, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| K+ | 11.0 | Cl | EI | Itoh, Sasamoto, et al., 1981 | LLK |
| K+ | 25.22 ± 0.04 | Cl(-) | PE | Potts and Price, 1977 | LLK |
| K+ | 10.6 | Cl | EI | Grimley and Joyce, 1969 | RDSH |
| K+ | 9.1 ± 0.3 | Cl | EI | Bloom, Hastie, et al., 1968 | RDSH |
| K+ | 24.98 ± 0.04 | Cl(-) | PE | Potts and Price, 1977 | Vertical value; LLK |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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: Klaus P. Huber and Gerhard H. Herzberg
Data collected through January, 1977
| Symbol | Meaning |
|---|---|
| State | electronic state and / or symmetry symbol |
| Te | minimum electronic energy (cm-1) |
| ωe | vibrational constant – first term (cm-1) |
| ωexe | vibrational constant – second term (cm-1) |
| ωeye | vibrational constant – third term (cm-1) |
| Be | rotational constant in equilibrium position (cm-1) |
| αe | rotational constant – first term (cm-1) |
| γe | rotation-vibration interaction constant (cm-1) |
| De | centrifugal distortion constant (cm-1) |
| βe | rotational constant – first term, centrifugal force (cm-1) |
| re | internuclear distance (Å) |
| Trans. | observed transition(s) corresponding to electronic state |
| ν00 | position of 0-0 band (units noted in table) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Several peaks in the elctron energy loss spectrum above 19 eV Geiger and Pfeiffer, 1968 may be associated with excitation of an electron from the metal 3p shell of K+ Cl-. | ||||||||||||
| Continuous absorption above 36000 cm-1, maxima at 40100, 41100 cm-1. 1 | ||||||||||||
| ↳Muller, 1927; Levi, 1934; Davidovits and Brodhead, 1967 | ||||||||||||
| A | Diffuse fluctuation bands in absorption from 30000 to 36000 cm-1. 2 The chemiluminescence spectrum consists of a long lower-state vibrational progression extending from 17000 to 24000 cm-1 in a beam-gas arrangement Oldenborg, Gole, et al., 1974 and from 20000 to 36000 in flames Beutler and Josephy, 1929, Levi, 1934, Kaufmann, Kinsey, et al., 1974. 2 | |||||||||||
| ↳Beutler and Josephy, 1929; Levi, 1934; Oldenborg, Gole, et al., 1974; Kaufmann, Kinsey, et al., 1974 | ||||||||||||
| X 1Σ+ | 0 | 281 3 | (1.30) | 0.12863476 | 0.0007899 | 1.63E-6 | 1.0874 | -8.3E-11 | 2.66665 4 | |||
| ↳Rice and Klemperer, 1957 | ||||||||||||
| Rotation sp. | ||||||||||||
| ↳Lee, Fabricand, et al., 1953; Tate and Strandberg, 1954; Clouser and Gordy, 1964 | ||||||||||||
| Mol. beam rf. el. reson. 5 | ||||||||||||
| ↳missing citation; Hebert, Lovas, et al., 1968 | ||||||||||||
Notes
| 1 | UV absorption cross sections Davidovits and Brodhead, 1967. In the electron energy loss spectrum Geiger and Pfeiffer, 1968, there are peaks at 42000, 53000, and 68000 cm-1. |
| 2 | See CsBr note d. From the emission data Kaufmann, Kinsey, et al., 1974, have derived a tentative potential energy curve for the upper state (see KBr note d); D'e ~450 cm-1. |
| 3 | From the IR spectrum. The Dunham theory applied to the microwave results gives ωe = 279.80, ωexe = 1.167. |
| 4 | Rot.-vibr. sp. 8 |
| 5 | μel[D] = 10.2391 + 0.05966(v+1/2) + 0.00019(v+1/2)2 missing citation, Hebert, Lovas, et al., 1968; nuclear electric quadrupole and spin-rotation coupling constants missing citation. |
| 6 | Thermochemical value Brewer and Brackett, 1961, Bulewicz, Phillips, et al., 1961; the analysis of the fluctuation bands gave D00 = 4.39 eV Levi, 1934 (and ω" = 280 Levi, 1934) according to Levi, 1934, or D00 ≤ 4.66 eV Barrow and Caunt, 1953 (and ω" = 305 Barrow and Caunt, 1953) according to Barrow and Caunt, 1953. |
| 7 | Adiabatic potential from the photoelectron spectrum of Potts, Williams, et al., 1974, not corrected for thermal population of ground state vibrational levels; the band maximum (vertical potential) is at 8.92 eV. |
| 8 | IR study of matrix isolated KCl Ismail, Hauge, et al., 1975. |
| 9 | From D00(KCl) + I.P.(K) - I.P.(KCl) Potts, Williams, et al., 1974, give 0.19 eV. |
| 10 | From the maxima in the photoelectron spectrum Potts, Williams, et al., 1974, missing citation. The two peaks corresponding to the 2P3/2 and 2P1/2 compoments of normal Cl are not resolved. |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, 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]
Chupka, 1959
Chupka, W.A.,
Dissociation Energies of Some Gaseous Halide Complex Ions and the Hydrated Ion K(H2O)+,
J. Chem. Phys., 1959, 40, 2, 458, https://doi.org/10.1063/1.1729974
. [all data]
Shaofeng and Pilcher, 1988
Shaofeng, L.; Pilcher, G.,
Enthalpy of formation of pyridine-N-oxide: the dissociation enthalpy of the (N-O) bond,
J. Chem. Thermodyn., 1988, 20, 463-465. [all data]
Miller, Leopold, et al., 1986
Miller, T.M.; Leopold, D.G.; Murray, K.K.; Lineberger, W.C.,
Electron Affinities of the Alkali Halides and the Structure of their Negative Ions,
J. Chem. Phys., 1986, 85, 5, 2368, https://doi.org/10.1063/1.451091
. [all data]
De Vreugd, Wijnaendts van Resandt, et al., 1979
De Vreugd, C.; Wijnaendts van Resandt, R.W.; Los, J.; Smith, B.,
Differential Cross Sections for Collisions of Negative Halogen Ions and Alkali Atoms,
Chem. Phys., 1979, 42, 3, 305, https://doi.org/10.1016/0301-0104(79)80078-6
. [all data]
Ebinghaus, 1964
Ebinghaus, H.Z.,
Negative Ionen aus Alkalihalogeniden und Electronenaffinitaten der Alkalimetalle und Alkalihalogenide,
Z. Naturfor., 1964, 19A, 727. [all data]
Itoh, Sasamoto, et al., 1981
Itoh, M.; Sasamoto, T.; Sata, T.,
Mass-spectrometric measurement of activities in both solid and liquid solutions of the KCl-NaCl system,
Bull. Chem. Soc. Jpn., 1981, 54, 3391. [all data]
Bloom and Williams, 1981
Bloom, H.; Williams, D.J.,
A mass spectrometric study of the vapors above the molten salt systems LiCl-CuCl, LiBr-CuBr, and NaI-CuI,
J. Chem. Phys., 1981, 75, 4636. [all data]
Potts and Price, 1977
Potts, A.W.; Price, W.C.,
Photoelectron studies of ionic materials using molecular beam techniques,
Phys. Scr., 1977, 16, 191. [all data]
Potts, Williams, et al., 1974
Potts, A.W.; Williams, T.A.; Price, W.C.,
Photoelectron spectra and electronic structure of diatomic alkali halides,
Proc. Roy. Soc. London A, 1974, 341, 147. [all data]
Grimley and Joyce, 1969
Grimley, R.T.; Joyce, T.E.,
A technique for the calibration of high-temperature mass spectrometers,
J. Phys. Chem., 1969, 73, 3047. [all data]
Bloom, Hastie, et al., 1968
Bloom, H.; Hastie, J.W.; Morrison, J.D.,
Ionization and dissociation of the alkali halides by electron impact,
J. Phys. Chem., 1968, 72, 3041. [all data]
Goodman, Allen, et al., 1974
Goodman, T.D.; Allen, J.D., Jr.; Cusachs, L.C.; Schweitzer, G.K.,
The photoelectron spectra of gaseous alkali halides,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 289. [all data]
Geiger and Pfeiffer, 1968
Geiger, J.; Pfeiffer, H.-C.,
Untersuchung der Anregung innerer Elektronen von Alkalihalogenidmolekulen im Energieverlustspektrum von 25 keV-Elektronen,
Z. Phys., 1968, 208, 105. [all data]
Muller, 1927
Muller, L.A.,
4. absorptionsspektren der alkalihalogenide in wasseriger losung und im dampf,
Ann. Phys. (Leipzig), 1927, 82, 39. [all data]
Levi, 1934
Levi,
Dissertation, Berlin, 1934, 0. [all data]
Davidovits and Brodhead, 1967
Davidovits, P.; Brodhead, D.C.,
Ultraviolet absorption cross sections for the alkali halide vapors,
J. Chem. Phys., 1967, 46, 2968. [all data]
Oldenborg, Gole, et al., 1974
Oldenborg, R.C.; Gole, J.L.; Zare, R.N.,
Chemiluminescent spectra of alkali-halogen reactions,
J. Chem. Phys., 1974, 60, 4032. [all data]
Beutler and Josephy, 1929
Beutler, H.; Josephy, B.,
Resonanz bei Stoben in der fluoreszenz und chemilumineszenz,
Z. Phys., 1929, 53, 747. [all data]
Kaufmann, Kinsey, et al., 1974
Kaufmann, K.J.; Kinsey, J.L.; Palmer, H.B.; Tewarson, A.,
Chemiluminescent emission spectra and possible upper-state potentials of KCl and KBr,
J. Chem. Phys., 1974, 61, 1865. [all data]
Rice and Klemperer, 1957
Rice, S.A.; Klemperer, W.,
Spectra of the alkali halides. II. The infrared spectra of the sodium and potassium halides, RbCl, and CsCl,
J. Chem. Phys., 1957, 27, 573. [all data]
Lee, Fabricand, et al., 1953
Lee, C.A.; Fabricand, B.P.; Carlson, R.O.; Rabi, I.I.,
Molecular beam investigation of rotational transitions. I. The rotational levels of KCl and their hyperfine structure,
Phys. Rev., 1953, 91, 1395. [all data]
Tate and Strandberg, 1954
Tate, P.A.; Strandberg, M.W.P.,
Stark effect in the microwave spectra of KCl and NaCl,
J. Chem. Phys., 1954, 22, 1380. [all data]
Clouser and Gordy, 1964
Clouser, P.L.; Gordy, W.,
Millimeter-wave molecular-beam spectroscopy: alkali chlorides,
Phys. Rev., 1964, 134, 863. [all data]
Hebert, Lovas, et al., 1968
Hebert, A.J.; Lovas, F.J.; Melendres, C.A.; Hollowell, C.D.; Story, T.L., Jr.; Street, K., Jr.,
Dipole moments of some alkali halide molecules by the molecular beam electric resonance method,
J. Chem. Phys., 1968, 48, 2824. [all data]
Brewer and Brackett, 1961
Brewer, L.; Brackett, E.,
The dissociation energies of gaseous alkali halides,
Chem. Rev., 1961, 61, 425. [all data]
Bulewicz, Phillips, et al., 1961
Bulewicz, E.M.; Phillips, L.F.; Sugden, T.M.,
Determination of dissociation constants and heats of formation of simple molecules by flame photometry. Part 8. Stabilities of the gaseous diatomic halides of certain metals,
Trans. Faraday Soc., 1961, 57, 921. [all data]
Barrow and Caunt, 1953
Barrow, R.F.; Caunt, A.D.,
The ultra-violet absorption spectra of some gaseous alkali-metal halides and the dissociation energy of fluorine,
Proc. R. Soc. London A, 1953, 219, 120. [all data]
Ismail, Hauge, et al., 1975
Ismail, Z.K.; Hauge, R.H.; Margrave, J.L.,
Infrared studies of matrix isolated sodium and potassium chloride and cyanide dimers,
J. Mol. Spectrosc., 1975, 54, 402. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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