Iodine

• Formula: I₂
• Molecular weight: 253.80894
• IUPAC Standard InChI: InChI=1S/I2/c1-2 Copy

  
• IUPAC Standard InChIKey: PNDPGZBMCMUPRI-UHFFFAOYSA-N Copy
• CAS Registry Number: 7553-56-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: I2; Eranol; Iode; Iodine-127; Iodio; Iosan Superdip; Jod; Jood; Molecular iodine; Tincture iodine; Vistarin; Iodine crystals; Iodine sublimed; Diiodine; Diatomic iodine
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data (reactions 1 to 50)
  • Gas phase ion energetics data
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data: reactions 51 to 75
  • Henry's Law data
  • Constants of diatomic molecules
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
  • X-ray Photoelectron Spectroscopy Database, version 5.0
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
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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, Reaction 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.

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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View table.

Reaction thermochemistry 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:
B - John E. Bartmess
MS - José A. Martinho Simões
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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. 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.

Reactions 1 to 50

 +  = I₃^-

By formula: I^- + I₂ = I₃^-

 (cr) +  (cr) = 2 (cr)

By formula: C₁₀Mn₂O₁₀ (cr) + I₂ (cr) = 2C₅IMnO₅ (cr)

 (cr) +  (cr) = 2 (cr)

By formula: C₁₀O₁₀Re₂ (cr) + I₂ (cr) = 2C₅IO₅Re (cr)

 +  =  + 

By formula: HI + C₃H₅I = C₃H₆ + I₂

 +  =  + 

By formula: HI + CH₃I = CH₄ + I₂

C₁₂H₁₆Nb (cr) + 2 (cr) = C₁₀H₁₀I₂Nb (cr) + 2 (l)

By formula: C₁₂H₁₆Nb (cr) + 2I₂ (cr) = C₁₀H₁₀I₂Nb (cr) + 2CH₃I (l)

C₂₀H₂₆CoN₅O₄ (solution) +  (solution) = C₁₃H₁₉CoIN₅O₄ (solution) +  (solution)

By formula: C₂₀H₂₆CoN₅O₄ (solution) + I₂ (solution) = C₁₃H₁₉CoIN₅O₄ (solution) + C₇H₇I (solution)

C₁₄H₂₂CoN₅O₄ (solution) +  (solution) = C₁₃H₁₉CoIN₅O₄ (solution) +  (solution)

By formula: C₁₄H₂₂CoN₅O₄ (solution) + I₂ (solution) = C₁₃H₁₉CoIN₅O₄ (solution) + CH₃I (solution)

 (l) +  (cr) =  (g) +  (cr)

By formula: C₅HMnO₅ (l) + I₂ (cr) = HI (g) + C₅IMnO₅ (cr)

 +  =

By formula: C₂H₄ + I₂ = C₂H₄I₂

 +  =  + 

By formula: I₂ + CClF₃ = CF₃I + ClI

 +  =  + 

By formula: HI + C₆H₁₁I = C₆H₁₂ + I₂

 +  =  + 

By formula: C₂H₃F₃ + I₂ = HI + C₂H₂F₃I

 +  =  + 

By formula: C₂H₂BrF₃ + I₂ = C₂H₂F₃I + BrI

 (l) + 2 (cr) = 2 (l) +  (cr)

By formula: C₂H₆Hg (l) + 2I₂ (cr) = 2CH₃I (l) + HgI₂ (cr)

 (solution) +  (solution) = 2 (solution)

By formula: C₁₀O₁₀Re₂ (solution) + I₂ (solution) = 2C₅IO₅Re (solution)

 (l) + 3 (cr) = GaI₃ (cr) + 3 (l)

By formula: C₃H₉Ga (l) + 3I₂ (cr) = GaI₃ (cr) + 3CH₃I (l)

 (l) + 2 (cr) = CH₃GaI₂ (cr) + 2 (l)

By formula: C₃H₉Ga (l) + 2I₂ (cr) = CH₃GaI₂ (cr) + 2CH₃I (l)

 (l) +  (cr) = 2C₃H₉ISn (l)

By formula: C₆H₁₈Sn₂ (l) + I₂ (cr) = 2C₃H₉ISn (l)

=  + 

By formula: C₄H₈I₂ = C₄H₈ + I₂

 (cr) +  (solution) =  (solution) + C₈H₅IO₃W (solution)

By formula: C₈H₆O₃W (cr) + I₂ (solution) = HI (solution) + C₈H₅IO₃W (solution)

C₁₅H₁₂MoO₃ (solution) +  (solution) = C₈H₅IMoO₃ (solution) +  (solution)

By formula: C₁₅H₁₂MoO₃ (solution) + I₂ (solution) = C₈H₅IMoO₃ (solution) + C₇H₇I (solution)

C₈H₆MoO₃ (cr) +  (solution) = C₈H₅IMoO₃ (solution) +  (solution)

By formula: C₈H₆MoO₃ (cr) + I₂ (solution) = C₈H₅IMoO₃ (solution) + HI (solution)

C₁₀MnO₁₀Re (solution) +  (solution) =  (solution) +  (solution)

By formula: C₁₀MnO₁₀Re (solution) + I₂ (solution) = C₅IO₅Re (solution) + C₅IMnO₅ (solution)

C₈H₅MoNaO₃ (solution) +  (cr) = C₈H₅IMoO₃ (solution) +  (cr)

By formula: C₈H₅MoNaO₃ (solution) + I₂ (cr) = C₈H₅IMoO₃ (solution) + INa (cr)

=  + 

By formula: C₂F₄I₂ = C₂F₄ + I₂

2 +  = 2 + 

By formula: 2C₃H₈S + I₂ = 2HI + C₆H₁₄S₂

2 +  = 2 + 

By formula: 2C₅H₁₂S + I₂ = 2HI + C₁₀H₂₂S₂

 +  = 2 + 

By formula: C₄H₁₀S₂ + I₂ = 2HI + C₄H₈S₂

 +  = 2 + 

By formula: C₈H₁₆O₂S₂ + I₂ = 2HI + C₈H₁₄O₂S₂

C₂₂H₃₆Zr (solution) + 2 (solution) = C₂₀H₃₀I₂Zr (solution) + 2 (solution)

By formula: C₂₂H₃₆Zr (solution) + 2I₂ (solution) = C₂₀H₃₀I₂Zr (solution) + 2CH₃I (solution)

 +  = 2 + 

By formula: C₃H₈S₂ + I₂ = 2HI + C₃H₆S₂

C₁₂H₁₆Zr (solution) + 2 (solution) = C₁₀H₁₀I₂Zr (solution) + 2 (solution)

By formula: C₁₂H₁₆Zr (solution) + 2I₂ (solution) = C₁₀H₁₀I₂Zr (solution) + 2CH₃I (solution)

C₂₂H₃₀O₂Zr (solution) +  (solution) = C₂₀H₃₀I₂Zr (solution) + 2 (solution)

By formula: C₂₂H₃₀O₂Zr (solution) + I₂ (solution) = C₂₀H₃₀I₂Zr (solution) + 2CO (solution)

C₂₂H₃₆Hf (solution) + 2 (solution) = C₂₀H₃₀HfI₂ (solution) + 2 (solution)

By formula: C₂₂H₃₆Hf (solution) + 2I₂ (solution) = C₂₀H₃₀HfI₂ (solution) + 2CH₃I (solution)

C₃₇H₃₀ClIrO₃P₂S (solution) +  (solution) = C₃₇H₃₀ClI₂IrOP₂ (solution) +  (solution)

By formula: C₃₇H₃₀ClIrO₃P₂S (solution) + I₂ (solution) = C₃₇H₃₀ClI₂IrOP₂ (solution) + O₂S (solution)

 +  =  + 

By formula: HI + C₇H₇I = C₇H₈ + I₂

 + 2 = 2 + 

By formula: H₂ + 2CH₃I = 2CH₄ + I₂

C₂₀H₃₂Zr (solution) +  (solution) = C₂₀H₃₀I₂Zr (solution) +  (g)

By formula: C₂₀H₃₂Zr (solution) + I₂ (solution) = C₂₀H₃₀I₂Zr (solution) + H₂ (g)

C₂₀H₃₂Hf (solution) +  (solution) = C₂₀H₃₀HfI₂ (solution) +  (g)

By formula: C₂₀H₃₂Hf (solution) + I₂ (solution) = C₂₀H₃₀HfI₂ (solution) + H₂ (g)

C₁₆H₁₀O₆W₂ (cr) +  (solution) = 2C₈H₅IO₃W (solution)

By formula: C₁₆H₁₀O₆W₂ (cr) + I₂ (solution) = 2C₈H₅IO₃W (solution)

C₁₆H₁₀Mo₂O₆ (cr) +  (solution) = 2C₈H₅IMoO₃ (solution)

By formula: C₁₆H₁₀Mo₂O₆ (cr) + I₂ (solution) = 2C₈H₅IMoO₃ (solution)

 (solution) +  (solution) = 2 (solution)

By formula: C₁₀Mn₂O₁₀ (solution) + I₂ (solution) = 2C₅IMnO₅ (solution)

 +  = ( • )

By formula: I^- + I₂ = (I^- • I₂)

 + 2 = 2 + 

By formula: H₂ + 2C₂H₅I = 2C₂H₆ + I₂

2 +  = C₆H₁₄Hg + 2

By formula: 2C₃H₇I + HgI₂ = C₆H₁₄Hg + 2I₂

2 +  = C₆H₁₄Hg + 2

By formula: 2C₃H₇I + HgI₂ = C₆H₁₄Hg + 2I₂

 +  =  + 

By formula: HI + CH₃IS = CH₄S + I₂

 +  =  + 

By formula: C₃H₆O + I₂ = HI + C₃H₅IO

 +  =  + 

By formula: I₂ + CBrF₃ = CF₃I + BrI

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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:
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
B - John E. Bartmess

View reactions leading to I₂⁺ (ion structure unspecified)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Ion clustering data

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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

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^- + I₂ = (I^- • I₂)

 +  = I₃^-

By formula: I^- + I₂ = I₃^-

I₃^- +  = (I₃^- • )

By formula: I₃^- + I₂ = (I₃^- • I₂)

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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]

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Taylor, Asmis, et al., 1999
Taylor, T.R.; Asmis, K.R.; Zanni, M.T.; Neumark, D.M., Characterization of the I-3 radical by anion photoelectron spectroscopy, J. Chem. Phys., 1999, 110, 16, 7607-7609, https://doi.org/10.1063/1.478672 . [all data]

Do, Klein, et al., 1997
Do, K.; Klein, T.P.; Pommerening, C.A.; Sunderlin, L.S., A New Flowing Afterglow-Guided Ion Beam Tandem Mass Spectrometer. Applications to the Thermochemistry of Polyiodide Ions, J. Am. Soc. Mass Spectrom., 1997, 8, 7, 688, https://doi.org/10.1016/S1044-0305(97)00116-5 . [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]

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Rodgers, Golden, et al., 1966
Rodgers, A.S.; Golden, D.M.; Benson, S.W., The thermochemistry of the gas phase equilibrium I₂ + C₃H₆ = C₃H₅I + HI, J. Am. Chem. Soc., 1966, 88, 3194-3196. [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]

Golden, Walsh, et al., 1965
Golden, D.M.; Walsh, R.; Benson, S.W., The thermochemistry of the gas phase equilibrium I₂ + CH₄ «=» CH₃I + HI and the heat of formation of the methyl radical, J. Am. Chem. Soc., 1965, 87, 4053-4057. [all data]

Goy and Pritchard, 1965
Goy, C.A.; Pritchard, H.O., Kinetics and thermodynamics of the reaction between iodine and methane and the heat of formation of methyl iodide, J. Phys. Chem., 1965, 69, 3040-3041. [all data]

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Nichol, R.J.; Ubbelohde, A.R., A thermochemical evaluation of bond strengths in some carbon compounds. part II. Bond strengths based on the reaction CH₃I + HI = CH₄ + I₂, J. Am. Chem. Soc., 1952, 415-421. [all data]

Diogo, Simoni, et al., 1993
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Connor, Zafarani-Moattar, et al., 1982
Connor, J.A.; Zafarani-Moattar, M.T.; Bickerton, J.; El-Saied, N.I.; Suradi, S.; Carson, R.; Al Takkhin, G.; Skinner, H.A., Organomet., 1982, 1, 1166. [all data]

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Abrams, A.; Davis, T.W., Use of radioactive iodine to determine equilibrium constants in ethylene-iodine-1,2-diiodoethane systems, J. Am. Chem. Soc., 1954, 76, 5993-59. [all data]

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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]

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Brennan, D.; Ubbelohde, A.R., A thermochemical evaluation of bond strengths in some carbon compounds. Part IV. Bond-strength differences based on the reaction: RI + HI = RH + I₂, where R = p-methoxyphenyl and cyclohexyl, J. Chem. Soc., 1956, 3011-3016. [all data]

Wu and Rodgers, 1974
Wu, E.; Rodgers, A.S., Thermochemistry of gas-phase equilibrium CF₃CH₃ + I₂ = CF₃CH₂I + HI. The carbon-hydrogen bond dissociation energy in 1,1,1-trifluoroethane and the heat of formation of the 2,2,2-trifluoroethyl radical, J. Phys. Chem., 1974, 78, 2315-2317. [all data]

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Graham, Nichol, et al., 1955
Graham, W.S.; Nichol, R.J.; Ubbelohde, A.R., A thermochemical evaluation of bond strengths in some carbon compounds. Part III. Bond strengths based on the reactions: (a) Ph·CH₂I + HI=Ph·CH₃ + I₂ and (b) PhI + HI=PhH + I₂, J. Chem. Soc., 1955, 115-121. [all data]

Carson, Carter, et al., 1961
Carson, A.S.; Carter, W.; Pedley, J.B., The thermochemistry of reductions caused by lithium aluminium hydride I. The C-I bond dissociation energy in CH₃I, Proc. Roy. Soc. London A, 1961, 260, 550-557. [all data]

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Downs, A.J.; Adams, G.J., Comprehensive Inorganic Chemistry, J. C. Bailar, H. J. Emeleus, R. Nyholm and A. F. Trotman - Dickerson, ed(s)., Pergamon Press, New York, 1973, 1543. [all data]

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Ashcroft, S.J.; Carson, A.S.; Carter, W.; Laye, P.G., Thermochemistry of reductions caused by lithium aluminium hydride. Part 3.- The C-halogen bond dissociation energies in ethyl iodine and ethyl bromide, Trans. Faraday Soc., 1965, 61, 225-229. [all data]

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Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  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

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