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
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 100, reactions 101 to 143
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • 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:

• NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase thermochemistry data

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Phase change data

Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Enthalpy of sublimation

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas Chromatography, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Phase change 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.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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]

Marsh, 1987
Marsh, K.N., Recommended Reference Materials for the Realization of Physicochemical Properties, Blackwell Sci. Pub., Oxford, 1987. [all data]

Angus, Armstrong, et al., 1976
Angus, S.; Armstrong, B.; de Reuck, K.M., International Thermodynamic Tables of the Fluid State - 3 Carbon Dioxide, Pergamon, New York, 1976. [all data]

Suehiro, Nakajima, et al., 1996
Suehiro, Y.; Nakajima, M.; Yamada, K.; Uematsu, M., Critical parameters of {xCO2 + (1 - x)CHF3} for x = (1.0000, 0.7496, 0.5013 , and 0.2522), J. Chem. Thermodyn., 1996, 28, 1153-1164. [all data]

Weber, 1989
Weber, L.A., Simple Apparatus for Vapor-Liquid Equilibrium Measurements with Data for the Binary Systems of Carbon Dioxide with n-Butane and Isobutane, J. Chem. Eng. Data, 1989, 34, 171. [all data]

Li and Kiran, 1988
Li, L.; Kiran, E., Gas-Liquid Critical Properties of Methylamine + Nitrous Oxide and Methylamine + Ethylene Binary Mixtures, J. Chem. Eng. Data, 1988, 33, 342. [all data]

Morrison, 1981
Morrison, G., Effect of water on the critical points of carbon dioxide and ethane, J. Phys. Chem., 1981, 85, 759-61. [all data]

Efremova and Shvarts, 1972
Efremova, G.D.; Shvarts, A.V., Higher-order Critical Phenomena in Ternary Systems. The Methanol-Carbon Dioxide-Ethane System, Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 237-239. [all data]

Andrizhievskii and Chernova, 1970
Andrizhievskii, A.A.; Chernova, N.I., Application of the Moving Meniscus Method in the Study of the Critical Phenomena in One-component Systems, Russ. J. Phys. Chem. (Engl. Transl.), 1970, 44, 1519. [all data]

Lowry and Erickson, 1927
Lowry, H.H.; Erickson, W.R., The Densities of Coexisting Liquid and Gaseous Carbon Dioxide and the Solubility of Water in Liquid Carbon Dioxide., J. Am. Chem. Soc., 1927, 49, 2729-2734. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Boublík and Aim, 1972
Boublík, T.; Aim, K., Heats of vaporization of simple non-spherical molecule compounds, Collect. Czech. Chem. Commun., 1972, 37, 11, 3513-3521, https://doi.org/10.1135/cccc19723513 . [all data]

Giauque and Egan, 1937
Giauque, W.F.; Egan, C.J., Carbon Dioxide. The Heat Capacity and Vapor Pressure of the Solid. The Heat of Sublimation. Thermodynamic and Spectroscopic Values of the Entropy, J. Chem. Phys., 1937, 5, 1, 45-54, https://doi.org/10.1063/1.1749929 . [all data]

Bryson, Cazcarra, et al., 1974
Bryson, Charles E.; Cazcarra, Victor; Levenson, Leonard L., Sublimation rates and vapor pressures of water, carbon dioxide, nitrous oxide, and xenon, J. Chem. Eng. Data, 1974, 19, 2, 107-110, https://doi.org/10.1021/je60061a021 . [all data]

Ambrose, 1956
Ambrose, D., The vapour pressures and critical temperatures of acetylene and carbon dioxide, Trans. Faraday Soc., 1956, 52, 772, https://doi.org/10.1039/tf9565200772 . [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Giauque and Egan, 1937, 2
Giauque, W.F.; Egan, C.J., Carbon Dioxide. The Heat Capacity and Vapor Pressure of the Solid. The Heat of Sublimation. Thermodynamic and Spectroscopic Values of the Entropy, J. Chem. Phys., 1937, 5, 1, 45, https://doi.org/10.1063/1.1749929 . [all data]

Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References

• Symbols used in this document:
  

  Pc	Critical pressure
  Ptriple	Triple point pressure
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  Tc	Critical temperature
  Ttriple	Triple point temperature
  Vc	Critical volume
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization
  ρc	Critical density

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.