Krypton

• Formula: Kr
• Molecular weight: 83.798
• IUPAC Standard InChI: InChI=1S/Kr Copy

  
• IUPAC Standard InChIKey: DNNSSWSSYDEUBZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 7439-90-9
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Kr; UN 1056; UN 1970
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Fluid Properties
• Data at other public NIST sites:
  • NIST Atomic Spectra Database - Lines Holdings (on physics web site)
  • NIST Atomic Spectra Database - Levels Holdings (on physics web site)
  • NIST Atomic Spectra Database - Ground states and ionization energies (on physics web site)
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase thermochemistry data

Go To: Top, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to Kr⁺ (ion structure unspecified)

Ionization energy determinations

Ion clustering 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
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

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: Br^- + Kr = (Br^- • Kr)

 +  = ( • )

By formula: CH₃⁺ + Kr = (CH₃⁺ • Kr)

 +  = ( • )

By formula: CO₂⁺ + Kr = (CO₂⁺ • Kr)

 +  = ( • )

By formula: Cl^- + Kr = (Cl^- • Kr)

 +  = ( • )

By formula: Cs⁺ + Kr = (Cs⁺ • Kr)

 +  = ( • )

By formula: Cu⁺ + Kr = (Cu⁺ • Kr)

 +  = ( • )

By formula: Fe⁺ + Kr = (Fe⁺ • Kr)

H₂O⁺ +  = (H₂O⁺ • )

By formula: H₂O⁺ + Kr = (H₂O⁺ • Kr)

Enthalpy of reaction

 +  = ( • )

By formula: I^- + Kr = (I^- • Kr)

 +  = ( • )

By formula: K⁺ + Kr = (K⁺ • Kr)

Kr⁺ +  = (Kr⁺ • )

By formula: Kr⁺ + Kr = (Kr⁺ • Kr)

(Kr⁺ • 2) +  = (Kr⁺ • 3)

By formula: (Kr⁺ • 2Kr) + Kr = (Kr⁺ • 3Kr)

(Kr⁺ • 3) +  = (Kr⁺ • 4)

By formula: (Kr⁺ • 3Kr) + Kr = (Kr⁺ • 4Kr)

(Kr⁺ • 4) +  = (Kr⁺ • 5)

By formula: (Kr⁺ • 4Kr) + Kr = (Kr⁺ • 5Kr)

(Kr⁺ • 5) +  = (Kr⁺ • 6)

By formula: (Kr⁺ • 5Kr) + Kr = (Kr⁺ • 6Kr)

 +  = ( • )

By formula: Li⁺ + Kr = (Li⁺ • Kr)

 +  = ( • )

By formula: NO^- + Kr = (NO^- • Kr)

 +  = ( • )

By formula: Na⁺ + Kr = (Na⁺ • Kr)

 +  = ( • )

By formula: O₂⁺ + Kr = (O₂⁺ • Kr)

O₂S⁺ +  = (O₂S⁺ • )

By formula: O₂S⁺ + Kr = (O₂S⁺ • Kr)

 +  = ( • )

By formula: Rb⁺ + Kr = (Rb⁺ • Kr)

Xe⁺ +  = (Xe⁺ • )

By formula: Xe⁺ + Kr = (Xe⁺ • Kr)

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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]

Ziegler, Yarbrough, et al., 1964
Ziegler, W.T.; Yarbrough, D.W.; Mullins, J.C., Calculation of the Vapor Pressure and Heats of Vaporization and Sublimation of Liquids and Solids below One Atmosphere Pressure. VI. Krypton, Ga. Inst. Technol., Eng. Exp. Stn., Proj. A-764, Tech. Rep. No. 1, 1964. [all data]

Lahr and Eversole, 1962
Lahr, P.H.; Eversole, W.G., Compression Isotherms of Argon, Krypton, and Xenon Through the Freezing Zone, J. Chem. Eng. Data, 1962, 7, 42-47. [all data]

Clusius and Weigand, 1940
Clusius, K.; Weigand, K., Melting Curves of the Gases A, Kr, Xe, CH4, CH3D, CD4, C2H4, C2H6, COS, and PH3 to 200 Atmospheres Pressure. The Chane of Volume on Melting, Z. Phys. Chem., Abt. B, 1940, 46, 1-37. [all data]

Theeuwes and Bearman, 1970
Theeuwes, F.; Bearman, R.J., The p,V,T behaviour of dense fluids III. The vapor pressure and orthobaric densities of krypton, J. Chem. Thermodyn., 1970, 2, 179-85. [all data]

Theeuwes and Bearman, 1970, 2
Theeuwes, F.; Bearman, R.J., The p,V,T Behavior of Dense Fluids. III. The Vapor Pressure and Orthobaric Density of Krypton, J. Chem. Thermodyn., 1970, 2, 2, 179-185, https://doi.org/10.1016/0021-9614(70)90081-9 . [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]

Lide, 1992
Lide, D.R. (Editor), Ionization potentials of atoms and atomic ions in Handbook of Chem. and Phys., 1992, 10-211. [all data]

Wetzel, Baiocchi, et al., 1987
Wetzel, R.C.; Baiocchi, F.A.; Hayes, T.R.; Freund, R.S., Absolute cross sections for electron-impact ionization of the rare-gas atoms by the fast-neutral-beam method, Phys. Rev. A, 1987, 35, 559. [all data]

Kelly, 1987
Kelly, R.L., Atomic and ionic spectrum lines of hydrogen through kryton, J. Phys. Chem. Ref. Data, 1987, 16. [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]

Yoshino and Tanaka, 1979
Yoshino, K.; Tanaka, Y., Absorption spectrum of krypton in the vacuum UV region, J. Opt. Soc. Am., 1979, 69, 159. [all data]

Chaghtai and Hassan, 1973
Chaghtai, M.S.Z.; Hassan, V., The ionization potential and the 4s4p6nl levels of ⁸⁶Kr I, J. Phys. B:, 1973, 6, 433. [all data]

Spohr, Guyon, et al., 1971
Spohr, R.; Guyon, P.M.; Chupka, W.A.; Berkowitz, J., Threshold photoelectron detector for use in the vacuum ultraviolet, Rev. Sci. Instrum., 1971, 42, 1872. [all data]

Moore, 1970
Moore, C.E., Ionization potentials and ionization limits derived from the analyses of optical spectra, Natl. Stand. Ref. Data Ser., (U.S. Natl. Bur. Stand.), 1970, 34, 1. [all data]

Hotop and Niehaus, 1969
Hotop, H.; Niehaus, A., Reactions of excited atoms molecules with atoms and molecules. II. Energy analysis of penning electrons, Z. Phys., 1969, 228, 68. [all data]

Gallegos and Klaver, 1967
Gallegos, E.J.; Klaver, R.F., Automatic voltage scanner for a peak switching mass spectrometer, J.Sci. Instr., 1967, 44, 427. [all data]

Dibeler, Reese, et al., 1966
Dibeler, V.H.; Reese, R.M.; Krauss, M., Mass spectrometric study of the photoionization of small molecules, Advan. Mass Spectrom., 1966, 3, 471. [all data]

Nicholson, 1965
Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [all data]

Al-Joboury and Turner, 1963
Al-Joboury, M.I.; Turner, D.W., Molecular photo-electron spectroscopy. Part I. The hydrogen and nitrogen molecules, J. Chem. Soc., 1963, 5141. [all data]

Yourshaw, Lenzer, et al., 1998
Yourshaw, I.; Lenzer, T.; Reiser, G.; Neumark, D.M., Zero electron kinetic energy spectroscopy of the KrBr-, XeBr-, and KrCl- anions, J. Chem. Phys., 1998, 109, 13, 5247-5256, https://doi.org/10.1063/1.477141 . [all data]

Wada, Kikkawa, et al., 2007
Wada, A.; Kikkawa, A.; Sugiyama, T.; Hiraoka, K., Thermochemical Stabilities of the Gas-phase Cluster Ions of Halide Ions with Rare Gas Atoms, Int. J. Mass Spectrom.., 2007, 267, 1-3, 284-287, https://doi.org/10.1016/j.ijms.2007.02.053 . [all data]

Gatland, 1984
Gatland, I.R., Determination of Ion-Atom Potentials from Mobility Experiments. in Swarms of Ions and Electrons In Gases, W. Lindinger, Ed., Springer-Verlag, NY,, 1984, 44. [all data]

McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]

Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L., Photoionization mass spectrometry of trans-azomethane, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]

Hovey and McMahon, 1987
Hovey, J.K.; McMahon, T.B., Bond Strength in the Methylkryptonium Ion Determined from Ion Cyclotron Resonance Methyl Cation Exchange Equilibria, J. Phys. Chem., 1987, 91, 17, 4560, https://doi.org/10.1021/j100301a028 . [all data]

Jarrold, Illies, et al., 1985
Jarrold, M.F.; Illies, A.J.; Wagner-Redeker, W.; Bowers, M.T., Photodissociation of Weakly Bound Ion - Molecule Clusters: The Kr.CO2+ Cluster, J. Phys. Chem., 1985, 89, 15, 3269, https://doi.org/10.1021/j100261a020 . [all data]

Gatland, 1984, 2
Gatland, I.R., Swarms of Ions and Electrons in Gases, W. Lindinger, T. D. Mark and F. Howorka, eds. (Springer, New York, 1984, 1984, 44. [all data]

Gislason, 1984
Gislason, E.A., Quoted in I. R. Gatland in Swarms of Ions and Electrons in Gases, W. Lindinger, T. D. Mark and F. Howorka, eds. (Springer, New York, 1984, 1984, 44. [all data]

Viehland, 1984
Viehland, L.A., Interaction Potentials for Li+ - Rare - Gas Systems, Chem. Phys., 1984, 78, 2, 279, https://doi.org/10.1016/0301-0104(83)85114-3 . [all data]

Takebe, 1983
Takebe, M., The Generalized Mobility Curve for Alkali Ions in Rare Gases: Clustering Reactions and Mobility Curves, J. Chem. Phys., 1983, 78, 12, 7223, https://doi.org/10.1063/1.444763 . [all data]

El-Shall, Schriver, et al., 1989
El-Shall, M.S.; Schriver, K.E.; Whetten, R.L.; Meot-Ner (Mautner), M., Ion/Molecule Clustering Thermochemistry by Laser Ionization High - Pressure Mass Spectrometry, J. Phys. Chem., 1989, 93, 24, 7969, https://doi.org/10.1021/j100361a002 . [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Kim, Kuo, et al., 1990
Kim, H.S.; Kuo, C.H.; Bowers, M.T., Photodissociation Dynamics of Water Containing Clusters. I. Kr.H2O+, J. Chem. Phys., 1990, 93, 8, 5594, https://doi.org/10.1063/1.459630 . [all data]

Zhao, Yourshaw, et al., 1994
Zhao, Y.X.; Yourshaw, I.; Reiser, G.; Arnold, C.C.; Neumark, D.M., Study of the ArBr(-), ArI(-), and KrI(-) anions and the corresponding neutral van der Waals complexes by anion zero electron kinetic energy, J. Chem. Phys., 1994, 101, 8, 6538, https://doi.org/10.1063/1.468500 . [all data]

Dehmer and Pratt, 1982
Dehmer, P.M.; Pratt, S.T., Photoionization of ArKr, ArXe, and KrXe and bond dissociation energies of the rare gas dimer ions, J. Chem. Phys., 1982, 77, 4804. [all data]

Abouaf, Huber, et al., 1978
Abouaf, R.; Huber, B.A.; Cosby, P.C.; Saxon, R.P.; Moseley, J.T., Photofragment Spectroscopy and Potential Curves of Kr2+, J. Chem. Phys., 1978, 68, 5, 2406, https://doi.org/10.1063/1.436011 . [all data]

Ng, Trevor, et al., 1977
Ng, C.Y.; Trevor, D.J.; Mahan, B.H.; Lee, Y.T., Photoionization Studies of the Kr2 and Ar2 van der Vaals Molecules, J. Chem. Phys., 1977, 66, 2, 446, https://doi.org/10.1063/1.433989 . [all data]

Mittman and Weise, 1974
Mittman, H.U.; Weise, H.P., Scattering of Ions V. Elastic Scattering of the Symmetric Rare Gas Ion - Rare Gas Atom Systems, Z. Naturforsch., 1974, A29, 400. [all data]

Hiraoka and Mori, 1990
Hiraoka, K.; Mori, T., Stability of Rare - Gas Cluster Ions, J. Chem. Phys., 1990, 92, 7, 4408, https://doi.org/10.1063/1.457751 . [all data]

Hendricks, de Clercq, et al., 2002
Hendricks, J.H.; de Clercq, H.L.; Freidhoff, C.B.; Arnold, S.T.; Eaton, J.G.; Fancher, C.; Lyapustina, S.A.; S., Anion solvation at the microscopic level: Photoelectron spectroscopy of the solvated anion clusters, NO-(Y)(n), where Y=Ar, Kr, Xe, N2O, H2S, NH3, H2O, and C2H4(OH)(2), J. Chem. Phys., 2002, 116, 18, 7926-7938, https://doi.org/10.1063/1.1457444 . [all data]

Bowen and Eaton, 1988
Bowen, K.H.; Eaton, J.G., Photodetachment Spectroscopy of Negative Cluster Ions, in The Structure of Small Molecules and Ions, Ed. R. Naaman, Z. Vager, Plenum NY, 1988, 1988, p.147-169. [all data]

McKnight and Sawina, 1973
McKnight, L.G.; Sawina, J.M., Equilibrium Constants and Binding Energies of Alkali Metal Ions with Inert Gases, Bull. Am. Phys. Soc., 1973, 18, 804. [all data]

Jarrold, Misev, et al., 1984
Jarrold, M.F.; Misev, L.; Bowers, M.T., Charge Transfer Half - Collisions: Photodissociation of the Kr.O2+ cluster Ion with Resolution of the Product Vibrational States, J. Chem. Phys., 1984, 81, 10, 4369, https://doi.org/10.1063/1.447448 . [all data]

Kim, Jarrold, et al., 1986
Kim, H.S.; Jarrold, M.F.; Bowers, M.T., Photodissociation of Weakly Bound Ion-Molecule Clusters: Kr.SO2+, J. Chem. Phys., 1986, 90, 16, 3584, https://doi.org/10.1021/j100407a024 . [all data]

Ng, Tiedemann, et al., 1977
Ng, C.Y.; Tiedemann, P.W.; Mahan, B.H.; Lee, Y.T., Photoionization Studies of the Diatomic Internuclear Rare Gas Molecules XeKr, XeAr, and KrAr, J. Chem. Phys., 1977, 66, 12, 5737, https://doi.org/10.1063/1.433848 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  IE (evaluated)	Recommended ionization energy
  Pc	Critical pressure
  Ptriple	Triple point pressure
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  T	Temperature
  Tboil	Boiling point
  Tc	Critical temperature
  Ttriple	Triple point temperature
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ρc	Critical density

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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