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Hydrogen peroxide

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

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
Deltafgas-136.11kJ/molReviewChase, 1998Data last reviewed in December, 1960
Quantity Value Units Method Reference Comment
gas,1 bar232.95J/mol*KReviewChase, 1998Data last reviewed in December, 1960

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. - 1500.
A 34.25667
B 55.18445
C -35.15443
D 9.087440
E -0.422157
F -149.9098
G 257.0604
H -136.1064
ReferenceChase, 1998
Comment Data last reviewed in December, 1960

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, M. Frenkel director
AC - W.E. Acree, Jr., J.S. Chickos

Quantity Value Units Method Reference Comment
Tfus272.26KN/ACuthbertson, Matheson, et al., 1928Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc728.KN/ANikitin, Pavlov, et al., 1995Uncertainty assigned by TRC = 15. K; by extrapolation of obs. Tc for aqueous solns, with pulse heating method to pure H2O2; TRC
Quantity Value Units Method Reference Comment
Pc220.00barN/ANikitin, Pavlov, et al., 1995Uncertainty assigned by TRC = 20.00 bar; by extrapolation of obs. Pc for aqueous solns. with pulse heating method to pure H2O2; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
48.5320.Maass and Hiebert, 1924Based on data from 277. - 363. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering 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: J.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.

Individual Reactions

HO2- + Hydrogen cation = Hydrogen peroxide

By formula: HO2- + H+ = H2O2

Quantity Value Units Method Reference Comment
Deltar1575.3 ± 2.1kJ/molG+TSRamond, Blanksby, et al., 2002gas phase; versus HCCH
Deltar1572. ± 8.8kJ/molG+TSBierbaum, Schmidt, et al., 1981gas phase; value altered from reference due to change in acidity scale
Quantity Value Units Method Reference Comment
Deltar1546.0 ± 1.7kJ/molIMRERamond, Blanksby, et al., 2002gas phase; versus HCCH
Deltar1542. ± 8.4kJ/molIMREBierbaum, Schmidt, et al., 1981gas phase; value altered from reference due to change in acidity scale

NO3 anion + Hydrogen peroxide = (NO3 anion bullet Hydrogen peroxide)

By formula: NO3- + H2O2 = (NO3- bullet H2O2)

Quantity Value Units Method Reference Comment
Deltar80.3 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980
Quantity Value Units Method Reference Comment
Deltar53.6 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980

Nitrogen oxide anion + Hydrogen peroxide = (Nitrogen oxide anion bullet Hydrogen peroxide)

By formula: NO2- + H2O2 = (NO2- bullet H2O2)

Quantity Value Units Method Reference Comment
Deltar84.5 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980
Quantity Value Units Method Reference Comment
Deltar59.8 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980

Chlorine anion + Hydrogen peroxide = (Chlorine anion bullet Hydrogen peroxide)

By formula: Cl- + H2O2 = (Cl- bullet H2O2)

Quantity Value Units Method Reference Comment
Deltar92.5 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl-, Keesee, Lee, et al., 1980
Quantity Value Units Method Reference Comment
Deltar65.3 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl-, Keesee, Lee, et al., 1980

HO4S- + Hydrogen peroxide = (HO4S- bullet Hydrogen peroxide)

By formula: HO4S- + H2O2 = (HO4S- bullet H2O2)

Quantity Value Units Method Reference Comment
Deltar66.5 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984
Quantity Value Units Method Reference Comment
Deltar44.8 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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 - E.P. Hunter and S.G. Lias
L - S.G. Lias

Data compiled as indicated in comments:
B - J.E. Bartmess
LLK - S.G. Lias, R.D. Levin, and S.A. Kafafi
RDSH - H.M. Rosenstock, K. Draxl, B.W. Steiner, and J.T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)10.58 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)674.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity643.8kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.62PEAshmore and Burgess, 1977LLK
10.54PEBrown, 1975LLK
10.92 ± 0.05EIFoner and Hudson, 1962RDSH
11.26 ± 0.05EILindeman and Guffy, 1958RDSH
11.7PEAshmore and Burgess, 1977Vertical value; LLK
11.69PEOsafune and Kimura, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
OH+15.35 ± 0.10OHEIFoner and Hudson, 1962RDSH
OH+15.60 ± 0.08OHEILindeman and Guffy, 1958RDSH
HO2+15.36 ± 0.05HEIFoner and Hudson, 1962, 2RDSH
H2O+14.09 ± 0.10OEIFoner and Hudson, 1962RDSH
O+17.0 ± 1.0H2OEIFoner and Hudson, 1962RDSH
O2+15.8 ± 0.5H2EIFoner and Hudson, 1962RDSH

De-protonation reactions

HO2- + Hydrogen cation = Hydrogen peroxide

By formula: HO2- + H+ = H2O2

Quantity Value Units Method Reference Comment
Deltar1575.3 ± 2.1kJ/molG+TSRamond, Blanksby, et al., 2002gas phase; versus HCCH; B
Deltar1572. ± 8.8kJ/molG+TSBierbaum, Schmidt, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1546.0 ± 1.7kJ/molIMRERamond, Blanksby, et al., 2002gas phase; versus HCCH; B
Deltar1542. ± 8.4kJ/molIMREBierbaum, Schmidt, et al., 1981gas phase; value altered from reference due to change in acidity scale; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction 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: J.E. Bartmess

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

Chlorine anion + Hydrogen peroxide = (Chlorine anion bullet Hydrogen peroxide)

By formula: Cl- + H2O2 = (Cl- bullet H2O2)

Quantity Value Units Method Reference Comment
Deltar92.5 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl-, Keesee, Lee, et al., 1980
Quantity Value Units Method Reference Comment
Deltar65.3 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..Cl-, Keesee, Lee, et al., 1980

HO4S- + Hydrogen peroxide = (HO4S- bullet Hydrogen peroxide)

By formula: HO4S- + H2O2 = (HO4S- bullet H2O2)

Quantity Value Units Method Reference Comment
Deltar66.5 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984
Quantity Value Units Method Reference Comment
Deltar44.8 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984

Nitrogen oxide anion + Hydrogen peroxide = (Nitrogen oxide anion bullet Hydrogen peroxide)

By formula: NO2- + H2O2 = (NO2- bullet H2O2)

Quantity Value Units Method Reference Comment
Deltar84.5 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980
Quantity Value Units Method Reference Comment
Deltar59.8 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980

NO3 anion + Hydrogen peroxide = (NO3 anion bullet Hydrogen peroxide)

By formula: NO3- + H2O2 = (NO3- bullet H2O2)

Quantity Value Units Method Reference Comment
Deltar80.3 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980
Quantity Value Units Method Reference Comment
Deltar53.6 ± 4.2kJ/molTDEqBohringer, Fahey, et al., 1984gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction 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]

Cuthbertson, Matheson, et al., 1928
Cuthbertson, A.C.; Matheson, G.L.; Maass, O., The Freezing Point and Density of Pure Hydrogen Peroxide, J. Am. Chem. Soc., 1928, 50, 1120. [all data]

Nikitin, Pavlov, et al., 1995
Nikitin, E.D.; Pavlov, P.A.; Popov, A.P.; Nikitina, H.E., Critical properties of hydrogen peroxide determined from direct measurements, J. Chem. Thermodyn., 1995, 27, 945-52. [all data]

Maass and Hiebert, 1924
Maass, O.; Hiebert, P.G., THE PROPERTIES OF PURE HYDROGEN PEROXIDE. V. VAPOR PRESSURE, J. Am. Chem. Soc., 1924, 46, 12, 2693-2700, https://doi.org/10.1021/ja01677a012 . [all data]

Ramond, Blanksby, et al., 2002
Ramond, T.M.; Blanksby, S.J.; Kato, S.; Bierbaum, V.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C.; Elliso, Heat of formation of the hydroperoxyl radical HOO via negative ion studies, J. Phys. Chem. A, 2002, 106, 42, 9641-9647, https://doi.org/10.1021/jp014614h . [all data]

Bierbaum, Schmidt, et al., 1981
Bierbaum, V.M.; Schmidt, R.J.; DePuy, C.H.; Mead, R.H.; Schulz, P.A.; Lineberger, W.C., Reactions of carbanions with triplet and singlet molecular oxygen, J. Am. Chem. Soc., 1981, 103, 6262. [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]

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]

Ashmore and Burgess, 1977
Ashmore, F.S.; Burgess, A.R., Study of Some Medium Size Alcohols and Hydroperoxides by Photoelectron Spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1977, 73, 1247. [all data]

Brown, 1975
Brown, R.S., A photoelectron investigation of the peroxide bond, Can. J. Chem., 1975, 53, 3439. [all data]

Foner and Hudson, 1962
Foner, S.N.; Hudson, R.L., Ionization and dissociation of hydrogen peroxide by electron impact, J. Chem. Phys., 1962, 36, 2676. [all data]

Lindeman and Guffy, 1958
Lindeman, L.P.; Guffy, J.C., Determination of the O-O bond energy in hydrogen peroxide by electron impact, J. Chem. Phys., 1958, 29, 247. [all data]

Osafune and Kimura, 1974
Osafune, K.; Kimura, K., Photoelectron spectroscopic study of hydrogen peroxide, Chem. Phys. Lett., 1974, 25, 47. [all data]

Foner and Hudson, 1962, 2
Foner, S.N.; Hudson, R.L., Mass spectrometry of the HO2 free radical, J. Chem. Phys., 1962, 36, 2681. [all data]


Notes

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