Sulfuric Acid

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Gas phase 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.

Quantity Value Units Method Reference Comment
Δfgas-735.13kJ/molReviewChase, 1998Data last reviewed in September, 1977
Quantity Value Units Method Reference Comment
gas,1 bar298.78J/mol*KReviewChase, 1998Data last reviewed in September, 1977

Gas Phase Heat Capacity (Shomate Equation)

Cp° = 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
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. to 1200.1200. to 6000.
A 47.28924139.2289
B 190.33149.513663
C -148.1299-1.795577
D 43.866310.118069
E -0.740016-15.61486
F -758.9525-813.0976
G 301.2961416.1854
H -735.1288-735.1288
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1977 Data last reviewed in September, 1977

Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman

Quantity Value Units Method Reference Comment
Proton affinity (review)699.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity666.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Δf(+) ion500. ± 20.kJ/molN/AN/A 

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
683. ± 5.Do, Klein, et al., 1998T = T(eff) = 800 - 1250K; H2S; H2CO. ΔGB values from kinetic bracketing were extrapolated to 298 K. ΔSp from ab initio rot. and vib. constants; MM
≥680.Do, Klein, et al., 1998MM

Protonation entropy at 298K

Protonation entropy (J/mol*K) Reference Comment
4.9Do, Klein, et al., 1998T = T(eff) = 800 - 1250K; H2S; H2CO. ΔGB values from kinetic bracketing were extrapolated to 298 K. ΔSp from ab initio rot. and vib. constants; MM

Ionization energy determinations

IE (eV) Method Reference Comment
12.40 ± 0.05EISnow and Thomas, 1990LL

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
HSO3+13.9 ± 0.1HOEISnow and Thomas, 1990LL
H2O+13.2 ± 0.2SO3EISnow and Thomas, 1990LL
SO2+15.97 ± 0.15H2O2EISnow and Thomas, 1990LL
SO3+13.8 ± 0.2H2OEISnow and Thomas, 1990LL

De-protonation reactions

HO4S- + Hydrogen cation = Sulfuric Acid

By formula: HO4S- + H+ = H2O4S

Quantity Value Units Method Reference Comment
Δr1295. ± 23.kJ/molD-EAWang, Nicholas, et al., 2000gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106; B
Δr1295. ± 11.kJ/molG+TSViggiano, Henchman, et al., 1992gas phase; B
Δr1325.5kJ/molLattHouse Jr. and Kemper, 1987gas phase; From lattice energy of NH4HSO4, with new PA(NH3); B
Δr<1319.6kJ/molG+TSVigiano, Perry, et al., 1980gas phase; I- + H2SO4 ->.; B
Δr<1312. ± 8.4kJ/molEIAEAdams, Smith, et al., 1986gas phase; From H2SO4 (AP 0eV); B
Quantity Value Units Method Reference Comment
Δr1265. ± 23.kJ/molH-TSWang, Nicholas, et al., 2000gas phase; Lit BDE seems too weak. This plus Viggiano, Henchman, et al., 1992 gives BDE=106; B
Δr1265. ± 10.kJ/molIMRBViggiano, Henchman, et al., 1992gas phase; B
Δr<1288.7kJ/molIMRBVigiano, Perry, et al., 1980gas phase; I- + H2SO4 ->.; B
Δr<1281. ± 9.6kJ/molH-TSAdams, Smith, et al., 1986gas phase; From H2SO4 (AP 0eV); B

Ion clustering data

Go To: Top, Gas phase 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 by: 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

(HO4S- • Sulfuric Acid) + Sulfuric Acid = (HO4S- • 2Sulfuric Acid)

By formula: (HO4S- • H2O4S) + H2O4S = (HO4S- • 2H2O4S)

Quantity Value Units Method Reference Comment
Δr92.0kJ/molATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/AArnold and Qiu, 1984gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
66.1250.ATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated

(HO4S- • 2Sulfuric Acid) + Sulfuric Acid = (HO4S- • 3Sulfuric Acid)

By formula: (HO4S- • 2H2O4S) + H2O4S = (HO4S- • 3H2O4S)

Quantity Value Units Method Reference Comment
Δr87.0kJ/molATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated
Δr82.8kJ/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/AArnold and Qiu, 1984gas phase; Entropy change calculated or estimated
Δr100.J/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
61.1250.ATMArnold and Qiu, 1984gas phase; Entropy change calculated or estimated
59.233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated

(HO4S- • 3Sulfuric Acid) + Sulfuric Acid = (HO4S- • 4Sulfuric Acid)

By formula: (HO4S- • 3H2O4S) + H2O4S = (HO4S- • 4H2O4S)

Quantity Value Units Method Reference Comment
Δr77.4kJ/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
54.233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated

(HO4S- • 4Sulfuric Acid) + Sulfuric Acid = (HO4S- • 5Sulfuric Acid)

By formula: (HO4S- • 4H2O4S) + H2O4S = (HO4S- • 5H2O4S)

Quantity Value Units Method Reference Comment
Δr79.1kJ/molATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Δr100.J/mol*KN/AArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
54.233.ATMArnold, Viggiano, et al., 1982gas phase; Entropy change calculated or estimated

References

Go To: Top, Gas phase 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Do, Klein, et al., 1998
Do, K.; Klein, T.P.; Pommering, C.A.; Bachrach, S.M.; Sunderlin, L.S., The gas-phase basicity of sulfuric acid, J. Am. Chem. Soc., 1998, 120, 6093. [all data]

Snow and Thomas, 1990
Snow, K.B.; Thomas, T.F., Mass spectrum, ionization potential, and appearance potentials for fragment ions of sulfuric acid vapor, Int. J. Mass Spectrom. Ion Processes, 1990, 96, 49. [all data]

Wang, Nicholas, et al., 2000
Wang, X.B.; Nicholas, J.B.; Wang, L.S., Photoelectron spectroscopy and theoretical calculations of SO4- and HSO4-: Confirmation of high electron affinities of SO4 and HSO4, J. Phys. Chem. A, 2000, 104, 3, 504-508, https://doi.org/10.1021/jp992726r . [all data]

Viggiano, Henchman, et al., 1992
Viggiano, A.A.; Henchman, M.J.; Dale, F.; Deakyne, C.A.; Paulson, J.F., Gas-Phase Reactions of Weak Bronsted Bases I-, PO3-, HSO4-, FSO3-, and CF3SO3- with Strong Bronsted Acids H2SO4, FSO3H, and CF3SO3H - A Quantitative Study, J. Am. Chem. Soc., 1992, 114, 11, 4299, https://doi.org/10.1021/ja00037a039 . [all data]

House Jr. and Kemper, 1987
House Jr.; Kemper, K.A., Proton Affinities of Sulfate and Bisulfate Ions, J. Thermal Anal., 1987, 32, 6, 1855, https://doi.org/10.1007/BF01913977 . [all data]

Vigiano, Perry, et al., 1980
Vigiano, A.A.; Perry, R.A.; Albritton, D.L.; Ferguson, E.E.; Fehsenfeld, F.C., The role of H2SO4 in stratospheric negative ion chemistry, J. Geophys. Res., 1980, 85, 4551. [all data]

Adams, Smith, et al., 1986
Adams, N.G.; Smith, D.; Viggiano, A.A.; Paulson, J.F.; Henchman, M.J., Dissociative attachment reactions of electron with strong acid molecules, J. Chem. Phys., 1986, 84, 6728. [all data]

Arnold and Qiu, 1984
Arnold, F.; Qiu, S., Upper Stratosphere Negative Ion Composition Measurements and Infrared Trace Gas Abundances, Planet. Space Sci., 1984, 32, 2, 169, https://doi.org/10.1016/0032-0633(84)90151-X . [all data]

Arnold, Viggiano, et al., 1982
Arnold, F.; Viggiano, A.A.; Schlager, H., Implications for Trace Gases and Aerosols of Large Negative Ions Clusters in the Stratosphere, Nature, 1982, 297, 5865, 371, https://doi.org/10.1038/297371a0 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, References