Carbon dioxide

• Formula: CO₂
• Molecular weight: 44.0095
• IUPAC Standard InChI: InChI=1S/CO2/c2-1-3 Copy

  
• IUPAC Standard InChIKey: CURLTUGMZLYLDI-UHFFFAOYSA-N Copy
• CAS Registry Number: 124-38-9
• 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.
• Isotopologues:
  • Carbon dioxide (¹²C¹⁶O₂)
• Other names: Carbon oxide (CO2); Carbonic acid, gas; Carbonic anhydride; Dry ice; CO2; Anhydride carbonique; Carbonica; Kohlendioxyd; Kohlensaure; UN 1013; UN 1845; UN 2187; Cardice; Dricold; Drikold; Carbonic acid anhydride; Khladon 744; R 744
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data (reactions 1 to 50)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 143
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • Fluid Properties
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Computational Chemistry Comparison and Benchmark Database
  • Gas Phase Kinetics Database
  • Reference simulation: TraPPE Carbon Dioxide
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
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Reaction thermochemistry data

Go To: Top, 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. 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

 +  = ( • )

By formula: O₂⁺ + CO₂ = (O₂⁺ • CO₂)

Free energy of reaction

 +  = ( • )

By formula: CO₂⁺ + CO₂ = (CO₂⁺ • CO₂)

O^- +  = (O^- • )

By formula: O^- + CO₂ = (O^- • CO₂)

 +  = ( • )

By formula: I^- + CO₂ = (I^- • CO₂)

 +  = ( • )

By formula: O₂^- + CO₂ = (O₂^- • CO₂)

Free energy of reaction

 +  = ( • )

By formula: F^- + CO₂ = (F^- • CO₂)

 +  = ( • )

By formula: Cl^- + CO₂ = (Cl^- • CO₂)

( • 2) +  = ( • 3)

By formula: (I^- • 2CO₂) + CO₂ = (I^- • 3CO₂)

( • 4) +  = ( • 5)

By formula: (I^- • 4CO₂) + CO₂ = (I^- • 5CO₂)

( • ) +  = ( • 2)

By formula: (I^- • CO₂) + CO₂ = (I^- • 2CO₂)

( • 5) +  = ( • 6)

By formula: (I^- • 5CO₂) + CO₂ = (I^- • 6CO₂)

( • ) +  = ( •  • )

By formula: (Na⁺ • CO₂) + H₂O = (Na⁺ • H₂O • CO₂)

CHO₂⁺ +  = (CHO₂⁺ • )

By formula: CHO₂⁺ + CO₂ = (CHO₂⁺ • CO₂)

( • 3) +  = ( • 4)

By formula: (I^- • 3CO₂) + CO₂ = (I^- • 4CO₂)

 +  = ( • )

By formula: NO₂^- + CO₂ = (NO₂^- • CO₂)

 +  = ( • )

By formula: NO^- + CO₂ = (NO^- • CO₂)

( • ) +  = ( • 2)

By formula: (Br^- • CO₂) + CO₂ = (Br^- • 2CO₂)

( • ) +  = ( • 2)

By formula: (CO₂⁺ • CO₂) + CO₂ = (CO₂⁺ • 2CO₂)

 +  = ( • )

By formula: Br^- + CO₂ = (Br^- • CO₂)

( • 2) +  = ( • 3)

By formula: (Cl^- • 2CO₂) + CO₂ = (Cl^- • 3CO₂)

( • ) +  = ( • 2)

By formula: (Cl^- • CO₂) + CO₂ = (Cl^- • 2CO₂)

 +  = ( • )

By formula: H₃O⁺ + CO₂ = (H₃O⁺ • CO₂)

( • 2 • ) +  = ( • 3 • )

By formula: (Na⁺ • 2H₂O • CO₂) + H₂O = (Na⁺ • 3H₂O • CO₂)

( • ) +  = ( • 2)

By formula: (O₂⁺ • CO₂) + CO₂ = (O₂⁺ • 2CO₂)

( • 3) +  = ( •  • 3)

By formula: (Na⁺ • 3H₂O) + CO₂ = (Na⁺ • CO₂ • 3H₂O)

( • 3) +  = ( • 4)

By formula: (Na⁺ • 3CO₂) + CO₂ = (Na⁺ • 4CO₂)

Free energy of reaction

 +  = ( • )

By formula: Na⁺ + CO₂ = (Na⁺ • CO₂)

Free energy of reaction

( • 6) +  = ( • 7)

By formula: (I^- • 6CO₂) + CO₂ = (I^- • 7CO₂)

( • 7) +  = ( • 8)

By formula: (I^- • 7CO₂) + CO₂ = (I^- • 8CO₂)

( • 3) +  = ( • 4)

By formula: (Cl^- • 3CO₂) + CO₂ = (Cl^- • 4CO₂)

CO₃^- +  = C₂O₅^-

By formula: CO₃^- + CO₂ = C₂O₅^-

HO^- +  = (HO^- • )

By formula: HO^- + CO₂ = (HO^- • CO₂)

( • 2) +  = ( • 3)

By formula: (CO₂⁺ • 2CO₂) + CO₂ = (CO₂⁺ • 3CO₂)

( •  • ) +  = ( • 2 • )

By formula: (Na⁺ • H₂O • CO₂) + H₂O = (Na⁺ • 2H₂O • CO₂)

( • 3) +  = ( • 4)

By formula: (F^- • 3CO₂) + CO₂ = (F^- • 4CO₂)

( • 4) +  = ( • 5)

By formula: (F^- • 4CO₂) + CO₂ = (F^- • 5CO₂)

( • 5) +  = ( • 6)

By formula: (F^- • 5CO₂) + CO₂ = (F^- • 6CO₂)

C₇O₁₅^- + 7 = C₈O₁₇^-

By formula: C₇O₁₅^- + 7CO₂ = C₈O₁₇^-

( • 2) +  = ( • 3)

By formula: (F^- • 2CO₂) + CO₂ = (F^- • 3CO₂)

( • ) +  = ( • 2)

By formula: (F^- • CO₂) + CO₂ = (F^- • 2CO₂)

( • 2) +  = ( • 3)

By formula: (O₂^- • 2CO₂) + CO₂ = (O₂^- • 3CO₂)

( • 3) +  = ( • 4)

By formula: (O₂^- • 3CO₂) + CO₂ = (O₂^- • 4CO₂)

( • 4) +  = ( • 5)

By formula: (O₂^- • 4CO₂) + CO₂ = (O₂^- • 5CO₂)

( • 5) +  = ( • 6)

By formula: (O₂^- • 5CO₂) + CO₂ = (O₂^- • 6CO₂)

( • 6) +  = ( • 7)

By formula: (O₂^- • 6CO₂) + CO₂ = (O₂^- • 7CO₂)

( • ) +  = ( • 2)

By formula: (O₂^- • CO₂) + CO₂ = (O₂^- • 2CO₂)

( • 2) +  = ( • 3)

By formula: (NO₂^- • 2CO₂) + CO₂ = (NO₂^- • 3CO₂)

( • 3) +  = ( • 4)

By formula: (NO₂^- • 3CO₂) + CO₂ = (NO₂^- • 4CO₂)

( • 4) +  = ( • 5)

By formula: (NO₂^- • 4CO₂) + CO₂ = (NO₂^- • 5CO₂)

( • 5) +  = ( • 6)

By formula: (NO₂^- • 5CO₂) + CO₂ = (NO₂^- • 6CO₂)

References

Go To: Top, Reaction thermochemistry data, Notes

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

Hiraoka, Nakajima, et al., 1988
Hiraoka, K.; Nakajima, G.; Shoda, S., Determination of the Stabilities of CO2+(CO2)n and O2+(CO2)n Clusters with n = 1 - 6, Chem. Phys. Lett., 1988, 146, 6, 535, https://doi.org/10.1016/0009-2614(88)87495-5 . [all data]

Illies, 1988
Illies, A.J., Thermochemistry of the Gas - Phase Ion - Molecule Clustering of CO2+CO2, SO2+CO2, N2O+N2O, O2+CO2, NO+CO2 and NO+N2O: Description of a New Hybrid Drift Tube/Ion Source with Coaxial Electron Beam and Ion Exit Apertures, J. Phys. Chem., 1988, 92, 10, 2889, https://doi.org/10.1021/j100321a037 . [all data]

Dotan, Davidson, et al., 1978
Dotan, I.; Davidson, J.A.; Fehsenfeld, F.C.; Albritton, D.L., Reactions of O2+.O2 with CO2, O3 and CH4 and O2+.O3 with H2O and CH4 and their Role in Stratospheric Ion Chemistry, J. Geophys. Res., 1978, 83, C8, 4036, https://doi.org/10.1029/JC083iC08p04036 . [all data]

Conway and Janik, 1970
Conway, D.C.; Janik, G.S., Determination of the Bond Energies for the Series O2 - O2+ through O2 - O10+, J. Chem. Phys., 1970, 53, 5, 1859, https://doi.org/10.1063/1.1674262 . [all data]

Meot-Ner (Mautner) and Field, 1977
Meot-Ner (Mautner), M.; Field, F.H., Proton Affinity and Ion - Molecule Clustering in CO2 and CS2. Applications in Martian Ionospheric Chemistry, J. Chem. Phys., 1977, 66, 10, 4527, https://doi.org/10.1063/1.433706 . [all data]

Rakshit and Warneck, 1981
Rakshit, A.B.; Warneck, P., Formation and Reactions of O2+.CO2, O2+.H2O and O2+(CO2)2 Ions, Int. J. Mass Spectrom Ion Phys., 1981, 40, 2, 135, https://doi.org/10.1016/0020-7381(81)80037-X . [all data]

Van Koppen, Kemper, et al., 1983
Van Koppen, P.A.M.; Kemper, P.R.; Illies, A.J.; Bowers, M.T., An Improved High - Pressure, Temperature - Variable Ion Source with Coaxial Electron Beam/Ion Exit Slit, Int. J. Mass Spectrom. Ion Proc., 1983, 54, 3, 263, https://doi.org/10.1016/0168-1176(83)80015-9 . [all data]

Headley, Mason, et al., 1982
Headley, J.V.; Mason, R.S.; Jennings, K.R., Kinetics, Equilibria and Diffusion of Ions Produced in N2, CO and CO2, Studied as a Function of Temperature using a High - Pressure Pulsed Mass Spectrometer, J. Chem. Soc., 1982, 78, 933. [all data]

Adams and Bohme, 1970
Adams, N.G.; Bohme, D., Flowing Afterglow Studies of Formation and Reactions of Cluster Ions of O₂⁺, O₂^-, and O^-, J. Chem. Phys., 1970, 52, 6, 3133, https://doi.org/10.1063/1.1673449 . [all data]

Piani, Becucci, et al., 2008
Piani, G.; Becucci, M.; Bowen, M.S.; Oakman, J.; Hu, Q.; Continetti, R.E., Photodetachment and dissociation dynamics of microsolvated iodide clusters, Phys. Scripta, 2008, 78, 5, 058110, https://doi.org/10.1088/0031-8949/78/05/058110 . [all data]

Arnold, Bradforth, et al., 1995
Arnold, D.W.; Bradforth, S.E.; Kim, E.H.; Neumark, D.M., Study of I-(CO2)n, Br-(CO2)n, and I-(N2O)n clusters by anion photoelectron spectroscopy, J. Chem. Phys., 1995, 102, 9, 3510, https://doi.org/10.1063/1.468576 . [all data]

Hiraoka, Mizuse, et al., 1987
Hiraoka, K.; Mizuse, S.; Yamabe, S., Stability and Structure of Cluster Ions: Halide Ions with CO2, J. Chem. Phys., 1987, 87, 6, 3647, https://doi.org/10.1063/1.452962 . [all data]

Gomez, Taylor, et al., 2002
Gomez, H.; Taylor, T.R.; Neumark, D.M., Anion photoelectron spectroscopy of I-2(-)(CO2)(n)(n=1-8) clusters, J. Chem. Phys., 2002, 116, 14, 6111-6117, https://doi.org/10.1063/1.1458246 . [all data]

Keesee, Lee, et al., 1980
Keesee, R.G.; Lee, N.; Castleman, A.W., Jr., Properties of clusters in the gas phase: V. Complexes of neutral molecules onto negative ions, J. Chem. Phys., 1980, 73, 2195. [all data]

Banic and Iribarne, 1985
Banic, C.M.; Iribarne, J.V., Equilibrium Constants for Clustering of Neutral Molecules about Gaseous Ions, J. Chem. Phys., 1985, 83, 12, 6432, https://doi.org/10.1063/1.449543 . [all data]

Hiraoka and Yamabe, 1992
Hiraoka, K.; Yamabe, S., Formation of the Chelate Bonds in the Cluster O2(-)(CO2)n, CO3(-)(CO2)n, and NO2(-)(CO2)n, J. Chem. Phys., 1992, 97, 1, 643, https://doi.org/10.1063/1.463560 . [all data]

Pack and Phelps, 1966
Pack, J.L.; Phelps, A.V., Electron Attachment and Detachment . II. Mixtures of O₂ and CO₂ and of O₂ and H₂O, J. Chem. Phys., 1966, 45, 11, 4316, https://doi.org/10.1063/1.1727491 . [all data]

Vestal and Mauclaire, 1977
Vestal, M.L.; Mauclaire, G.H., Photodissociaton of negative ions formed in CO₂ and CO₂/O₂ Mixtures, J. Chem. Phys., 1977, 67, 3758. [all data]

Conway and Nesbit, 1968
Conway, D.C.; Nesbit, L.E., Stability of O₄^-, J. Chem. Phys., 1968, 48, 1, 509, https://doi.org/10.1063/1.1667956 . [all data]

Fehsenfeld and Ferguson, 1974
Fehsenfeld, F.C.; Ferguson, E.E., Laboratory studies of negative ion reactions with atmospheric trace constituents, J. Chem. Phys., 1974, 61, 3181. [all data]

Arshadi and Kebarle, 1970
Arshadi, M.; Kebarle, P., Hydration of OH^- and O₂^- in the Gas Phase. Comparative Solvation of OH^- by Water and the Hydrogen Halides. Effect of Acidity, J. Phys. Chem., 1970, 74, 7, 1483, https://doi.org/10.1021/j100702a015 . [all data]

Arnold, Bradforth, et al., 1995, 2
Arnold, D.W.; Bradforth, S.E.; Kim, E.H.; Neumark, D.M., Study of halogen carbon dioxide clusters and the fluoroformyloxyl radical by photodetachment of X(-)(CO2) (X=I,Cl,Br) and FCO2-, J. Chem. Phys., 1995, 102, 9, 3493, https://doi.org/10.1063/1.468575 . [all data]

Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]

McMahon and Northcott, 1978
McMahon, T.B.; Northcott, C.J., The Fluoroformate Ion FCO₂-: An ICR study of the gas phase lewis acidity of carbon dioxide and related isoelectronic species, Can. J. Chem., 1978, 56, 1068. [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Spears and Ferguson, 1973
Spears, K.G.; Ferguson, E.E., Termolecular and Saturated Termolecular Kinetics for Li+ and F-, J. Chem. Phys., 1973, 59, 8, 4174, https://doi.org/10.1063/1.1680610 . [all data]

Hiraoka, Shoda, et al., 1986
Hiraoka, K.; Shoda, T.; Morise, K.; Yamabe, S.; Kawai, E.; Hirao, K., Stability and structure of cluster ions in the gas phase: Carbon dioxide with Cl^-, H₃O⁺, HCO₂⁺ and HCO⁺, J. Chem. Phys., 1986, 84, 2091. [all data]

Peterson, Mark, et al., 1984
Peterson, K.I.; Mark, T.D.; Keesee, R.G.; Castleman, A.W., Thermochemical Properties of Gas - Phase Mixed Clusters: H2O/CO2 with Na+, J. Phys. Chem., 1984, 88, 13, 2880, https://doi.org/10.1021/j150657a042 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Perry, Rowe, et al., 1980
Perry, R.A.; Rowe, B.R.; Viggiano, A.A.; Albritton, D.L.; Ferguson, E.E.; Fehsenfeld, F.C., Laboratory Measurements of Stratospheric Sodium Ion Measurements, Geophys. Res. Lett., 1980, 7, 9, 693, https://doi.org/10.1029/GL007i009p00693 . [all data]

Szulejko and McMahon, 1992
Szulejko, J.; McMahon, T.B., personal communication, 1992. [all data]

Jennings, Headley, et al., 1982
Jennings, K.R.; Headley, J.V.; Mason, R.S., The Temperature Dependence of Ion - Molecule Association Reactions, Int. J. Mass. Spectrom. Ion Phys, 1982, 45, 315. [all data]

Hiraoka and Yamabe, 1991
Hiraoka, K.; Yamabe, S., Cluster Ions: Gas Phase Stabilities of NO+(O2)n and NO+(CO2)n with n = 1 - 5, J. Chem. Phys., 1991, 95, 9, 6800, https://doi.org/10.1063/1.461518 . [all data]

Dunkin, Fehsenfeld, et al., 1971
Dunkin, D.B.; Fehsenfeld, F.C.; Schelmetekopf, A.L.; Ferguson, E.E., Three-Body Association Reactions of NO+ with O2, N2, and CO2, J. Chem. Phys., 1971, 54, 9, 3817, https://doi.org/10.1063/1.1675432 . [all data]

Cameron, Aitken, et al., 1994
Cameron, B.R.; Aitken, C.G.; Harland, P.W., Appearence Energies of Small Cluster Ions and their Fragments, J. Chem. Soc. Faraday Trans., 1994, 90, 7, 935, https://doi.org/10.1039/ft9949000935 . [all data]

Linn and Ng, 1981
Linn, S.H.; Ng, C.Y., Photoionization Study of CO2, N2O Dimers and Clusters, J. Chem. Phys., 1981, 75, 10, 4921, https://doi.org/10.1063/1.441931 . [all data]

Keller and Beyer, 1971
Keller, G.E.; Beyer, R.A., CO2 and O2 Clustering to Sodium Ions, J. Geophys. Res., 1971, 74, 1, 289, https://doi.org/10.1029/JA076i001p00289 . [all data]

Squires, 1992
Squires, R.R., Gas Phase Thermochemical Properties of the Bicarbonate and Bisulfate Ions, Int. J. Mass Spectrom. Ion Proc., 1992, 117, 565, https://doi.org/10.1016/0168-1176(92)80114-G . [all data]

Hierl and Paulson, 1984
Hierl, P.M.; Paulson, J.F., Translational energy dependence of cross sections for reactions of OH^- (H₂O)n with CO₂ and SO₂, J. Chem. Phys., 1984, 80, 4890. [all data]

Notes

Go To: Top, Reaction thermochemistry data, References

• Symbols used in this document:
  

  T	Temperature
  ΔrG°	Free energy of reaction 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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