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:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data (reactions 1 to 50)
  • Henry's Law data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 143
  • 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)
  • Gas Phase Kinetics Database
  • Reference simulation: TraPPE Carbon Dioxide
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
  • Switch to SI units

Data at NIST subscription sites:

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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, Henry's Law 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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Henry's Law 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. 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)

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)

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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]

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, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, References

• Symbols used in this document:
  

  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  T	Temperature
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  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

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