Sulfur dioxide

• Formula: O₂S
• Molecular weight: 64.064
• IUPAC Standard InChI: InChI=1S/O2S/c1-3-2 Copy

  
• IUPAC Standard InChIKey: RAHZWNYVWXNFOC-UHFFFAOYSA-N Copy
• CAS Registry Number: 7446-09-5
• 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: Sulfurous acid anhydride; Fermenicide powder; Fermenticide liquid; Sulfur oxide (SO2); Sulfurous anhydride; Sulfurous oxide; SO2; Sulphur dioxide; Fermenicide liquid; Schwefeldioxyd; Siarki dwutlenek; Sulfur oxide; UN 1079; Sulfur dioxide (SO2); Sulfur superoxide
• 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
  • Reaction thermochemistry data (reactions 1 to 50)
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 102
  • Henry's Law data
  • Ion clustering data
  • Fluid Properties
• Data at other public NIST sites:
  • Microwave spectra (on physics lab web site)
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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.

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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
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)

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Reaction thermochemistry 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

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: Cl^- + O₂S = (Cl^- • O₂S)

Free energy of reaction

 +  = ( • )

By formula: F^- + O₂S = (F^- • O₂S)

 +  = ( • )

By formula: NO₃^- + O₂S = (NO₃^- • O₂S)

Free energy of reaction

 +  = ( • )

By formula: I^- + O₂S = (I^- • O₂S)

Free energy of reaction

O₂S^- +  = (O₂S^- • )

By formula: O₂S^- + O₂S = (O₂S^- • O₂S)

 +  = ( • )

By formula: NO₂^- + O₂S = (NO₂^- • O₂S)

CO₃^- +  = (CO₃^- • )

By formula: CO₃^- + O₂S = (CO₃^- • O₂S)

Free energy of reaction

( • ) +  = ( •  • )

By formula: (Cl^- • O₂S) + H₂O = (Cl^- • H₂O • O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

Free energy of reaction

( • ) +  = ( • 2)

By formula: (Cl^- • O₂S) + O₂S = (Cl^- • 2O₂S)

( • ) +  = ( • 2)

By formula: (NO₂^- • O₂S) + O₂S = (NO₂^- • 2O₂S)

( • 3) +  = ( • 4)

By formula: (Na⁺ • 3O₂S) + O₂S = (Na⁺ • 4O₂S)

Free energy of reaction

( • ) +  = ( •  • )

By formula: (Br^- • O₂S) + HBr = (Br^- • HBr • O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

( •  • ) +  = ( • 2 • )

By formula: (Cl^- • O₂S • H₂O) + O₂S = (Cl^- • 2O₂S • H₂O)

Free energy of reaction

 +  = ( • )

By formula: Na⁺ + O₂S = (Na⁺ • O₂S)

( • ) +  = ( •  • )

By formula: (Br^- • O₂S) + HCl = (Br^- • HCl • O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

( • 2) +  = ( •  • 2)

By formula: (Cl^- • 2H₂O) + O₂S = (Cl^- • O₂S • 2H₂O)

Free energy of reaction

(O₂S^- • ) +  = (O₂S^- • 2)

By formula: (O₂S^- • O₂S) + O₂S = (O₂S^- • 2O₂S)

( •  • ) +  = ( • 2 • )

By formula: (Cl^- • H₂O • O₂S) + H₂O = (Cl^- • 2H₂O • O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

( • 2) +  = ( •  • 2)

By formula: (Cl^- • 2O₂S) + H₂O = (Cl^- • H₂O • 2O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

( • 2) +  = ( • 3)

By formula: (NO₂^- • 2O₂S) + O₂S = (NO₂^- • 3O₂S)

( • ) +  = ( •  • )

By formula: (Cl^- • O₂S) + HCl = (Cl^- • HCl • O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

( • ) +  = ( •  • )

By formula: (Cl^- • H₂O) + O₂S = (Cl^- • O₂S • H₂O)

Free energy of reaction

HO₂S⁺ +  = (HO₂S⁺ • )

By formula: HO₂S⁺ + O₂S = (HO₂S⁺ • O₂S)

( • 2) +  = ( • 3)

By formula: (Cl^- • 2O₂S) + O₂S = (Cl^- • 3O₂S)

( • 2) +  = ( • 3)

By formula: (I^- • 2O₂S) + O₂S = (I^- • 3O₂S)

( • ) +  = ( • 2)

By formula: (I^- • O₂S) + O₂S = (I^- • 2O₂S)

( • 3) +  = ( • 4)

By formula: (Cl^- • 3O₂S) + O₂S = (Cl^- • 4O₂S)

( • ) +  = ( •  • )

By formula: (I^- • O₂S) + H₂O = (I^- • H₂O • O₂S)

Bond type: Hydrogen bond (negative ion to hydride)

Free energy of reaction

HO^- +  = (HO^- • )

By formula: HO^- + O₂S = (HO^- • O₂S)

 +  = ( • )

By formula: Br^- + O₂S = (Br^- • O₂S)

CN^- +  = (CN^- • )

By formula: CN^- + O₂S = (CN^- • O₂S)

 +  = ( • )

By formula: Cs⁺ + O₂S = (Cs⁺ • O₂S)

Free energy of reaction

( • ) +  = ( •  • )

By formula: (NO₂^- • O₂S) + C₂H₅NO₃ = (NO₂^- • C₂H₅NO₃ • O₂S)

( • 2 • ) +  = ( • 3 • )

By formula: (H₄N⁺ • 2H₂O • O₂S) + H₂O = (H₄N⁺ • 3H₂O • O₂S)

Bond type: Hydrogen bond (positive ion to hydride)

( • ) +  = ( • 2)

By formula: (NO₃^- • O₂S) + O₂S = (NO₃^- • 2O₂S)

( •  • ) +  = ( • 2 • )

By formula: (H₄N⁺ • H₂O • O₂S) + H₂O = (H₄N⁺ • 2H₂O • O₂S)

Bond type: Hydrogen bond (positive ion to hydride)

(O₂S^- • 2 • 3) +  = (O₂S^- • 3 • 3)

By formula: (O₂S^- • 2H₂O • 3O₂S) + H₂O = (O₂S^- • 3H₂O • 3O₂S)

(O₂S^- • 2 • 4) +  = (O₂S^- • 3 • 4)

By formula: (O₂S^- • 2H₂O • 4O₂S) + H₂O = (O₂S^- • 3H₂O • 4O₂S)

(O₂S^- • 5 • 2) +  = (O₂S^- • 6 • 2)

By formula: (O₂S^- • 5O₂S • 2H₂O) + O₂S = (O₂S^- • 6O₂S • 2H₂O)

(O₂S^- • 6 • 2) +  = (O₂S^- • 7 • 2)

By formula: (O₂S^- • 6O₂S • 2H₂O) + O₂S = (O₂S^- • 7O₂S • 2H₂O)

(O₂S^- •  • 3) +  = (O₂S^- • 2 • 3)

By formula: (O₂S^- • H₂O • 3O₂S) + H₂O = (O₂S^- • 2H₂O • 3O₂S)

(O₂S^- •  • 4) +  = (O₂S^- • 2 • 4)

By formula: (O₂S^- • H₂O • 4O₂S) + H₂O = (O₂S^- • 2H₂O • 4O₂S)

( • 4) +  = ( •  • 4)

By formula: (H₃O⁺ • 4H₂O) + O₂S = (H₃O⁺ • O₂S • 4H₂O)

Free energy of reaction

(O₂S^- • 6 • ) +  = (O₂S^- • 7 • )

By formula: (O₂S^- • 6O₂S • H₂O) + O₂S = (O₂S^- • 7O₂S • H₂O)

( • ) +  = ( •  • )

By formula: (NO₃^- • O₂S) + H₂O = (NO₃^- • H₂O • O₂S)

Free energy of reaction

( • ) +  = ( •  • )

By formula: (I^- • H₂O) + O₂S = (I^- • O₂S • H₂O)

Free energy of reaction

(O₂S^- • 2 • ) +  = (O₂S^- • 3 • )

By formula: (O₂S^- • 2O₂S • O₂) + O₂S = (O₂S^- • 3O₂S • O₂)

(O₂S^- •  • ) +  = (O₂S^- • 2 • )

By formula: (O₂S^- • O₂S • O₂) + O₂S = (O₂S^- • 2O₂S • O₂)

(O₃S^- •  • ) +  = (O₃S^- • 2 • )

By formula: (O₃S^- • O₂S • O₂) + O₂S = (O₃S^- • 2O₂S • O₂)

 +  = ( • )

By formula: CH₃⁺ + O₂S = (CH₃⁺ • O₂S)

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
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 O₂S⁺ (ion structure unspecified)

Electron affinity determinations

Gas basicity at 298K

Ionization energy determinations

Appearance energy determinations

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

• GAS (100 mmHg DILUTED TO A TOTAL PRESSURE OF 600 mmHg WITH N2); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution
• GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); PERKIN-ELMER 180; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 1 CM^-1 AT 4000 cm^-1 resolution

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty

• gas; IFS66V (Bruker); 3-Term B-H Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Boxcar Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Happ Genzel Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); NB Strong Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
• gas; IFS66V (Bruker); Triangular Apodization
  0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution

Mass spectrum (electron ionization)

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

Spectrum

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Additional Data

Gas Chromatography

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

Van Den Dool and Kratz RI, polar column, temperature ramp

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Normal alkane RI, polar column, temperature ramp

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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]

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Hoffman, K.R.; Vanderwerf, C.A., Addition Compounds of Sulfur Dioxide with Pyridine and the Picolines, J. Am. Chem. Soc., 1946, 68, 997. [all data]

Giauque and Stephenson, 1938
Giauque, W.F.; Stephenson, C.C., Sulfur Dioxide. The Heat Capacity of Solid and Liquid. Vapor Pressure. Heat of Vap. The Entropy Values from Termal and Molecular Data, J. Am. Chem. Soc., 1938, 60, 1389. [all data]

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Giauque, W.F.; Stephenson, C.C., Sulfur Dioxide. The Heat Capacity of Solid and Liquid. Vapor Pressure. Heat of Vaporization. The Entropy Values from Thermal and Molecular Data, J. Am. Chem. Soc., 1938, 60, 6, 1389-1394, https://doi.org/10.1021/ja01273a034 . [all data]

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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]

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Caldwell, G.; Kebarle, P., The hydrogen bond energies of the bihalide ions XHX- and YHX-, Can. J. Chem., 1985, 63, 1399. [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]

Bohringer, Fahey, et al., 1984
Bohringer, H.; Fahey, D.W.; Fehsenfeld, F.C.; Ferguson, E.E., Bond energies of the molecules H₂O, SO₂, H₂O₂, and HCl to various atmospheric negative ions, J. Chem. Phys., 1984, 81, 2805. [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]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl^-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl^- = RHCl^-, Can. J. Chem., 1982, 60, 1907. [all data]

Keesee and Castleman, 1980
Keesee, R.G.; Castleman, A.W., Jr., Gas phase studies of hydration complexes of Cl- and I- and comparison to electrostatic calculations in the gas phase, Chem. Phys. Lett., 1980, 74, 139. [all data]

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Lobring, Check, et al., 2003
Lobring, K.C.; Check, C.E.; Sunderlin, L.S., The fluoride affinity of SO2, Int. J. Mass Spectrom., 2003, 222, 1-3, 221-227, https://doi.org/10.1016/S1387-3806(02)00950-8 . [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]

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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]

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Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R., Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study, J. Phys. Chem., 1995, 99, 7, 2002, https://doi.org/10.1021/j100007a034 . [all data]

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Wlodek, Luczynski, et al., 1983
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Lee, Keesee, et al., 1980
Lee, N.; Keesee, R.G.; Castleman, A.W., Jr., The properties of clusters in the gas phase. IV. Complexes of H₂O and HNO_x clustering on NO_x-, J. Chem. Phys., 1980, 72, 1089. [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]

Vacher, Leduc, et al., 1994
Vacher, J.R.; Leduc, E.; Fitaire, M., Stabilities of Anionic Mixed Clusters of Sulfur Dioxide and Water, Int. J. Mass Spectrom. Ion Proc., 1994, 135, 2-3, 139, https://doi.org/10.1016/0168-1176(94)03985-2 . [all data]

Dresch, Kramer, et al., 1991
Dresch, T.; Kramer, H.; Thurner, Y.; Weber, R., Photoelectrons from Negative Dimers and Clusters of Sulfur Dioxide, Chem. Phys. Lett., 1991, 177, 4-5, 383, https://doi.org/10.1016/0009-2614(91)85070-D . [all data]

Snodgrass, Coe, et al., 1988
Snodgrass, J.T.; Coe, J.V.; Friedhoff, C.B.; McHugh, K.M.; Bowen, K.H., On the Photodissociation of (SO₂)₂^-, J. Chem. Phys., 1988, 88, 12, 8014, https://doi.org/10.1063/1.454261 . [all data]

Upschulte, Schelling, et al., 1984
Upschulte, B.L.; Schelling, F.J.; Keesee, R.G.; Castleman, A.W., Thermochemical Properties of Gas Phase Mixed Clusters: Water and Sulfur Dioxide with Na+ and Cl-, Chem. Phys. Lett., 1984, 111, 4-5, 389, https://doi.org/10.1016/0009-2614(84)85526-8 . [all data]

Castleman, Peterson, et al., 1983
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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
  Ptriple	Triple point pressure
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  T	Temperature
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  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
  ΔvapH	Enthalpy of vaporization

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