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Hydrogen peroxide

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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
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

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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

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

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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: 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.

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

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References, Notes

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson


Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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: Marilyn E. Jacox

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Td = 33000 T gas 120 410 Urey, Dawsey, et al., 1929
Holt, McLane, et al., 1948
Schurgers and Welge, 1968
Lin, Rohatgi, et al., 1978
Kahan, Washenfelder, et al., 2012

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a 1 OH s-stretch 3617.95 gas IR Ra Bain and Giguere, 1955
Redington, Olson, et al., 1962
Giguere and Srinivasan, 1974
Olson, Hunt, et al., 1988
1 OH s-stretch 3609.8 gas IR Ra Bain and Giguere, 1955
Redington, Olson, et al., 1962
Giguere and Srinivasan, 1974
Olson, Hunt, et al., 1988
1 OH s-stretch 3617.1 He PF Raston, Knapp, et al., 2011
1 OH s-stretch 3593 Ar Ra Giguere and Srinivasan, 1975
2 OH s-bend 1393.5 gas Ra Giguere and Srinivasan, 1974
2 OH s-bend 1385 Ar Ra Giguere and Srinivasan, 1975
3 OO stretch 877.93 gas IR Camy-Peyret, Flaud, et al., 1992
3 OO stretch 865.94 gas Ra IR Giguere and Srinivasan, 1974
Camy-Peyret, Flaud, et al., 1992
3 OO stretch 869 Ar Ra Giguere and Srinivasan, 1975
4 Torsion 370.89 gas IR Hunt, Leacock, et al., 1965
Olson, Hunt, et al., 1988
Masset, Lechuga-Fossat, et al., 1988
Flaud, Camy-Peyret, et al., 1989
4 Torsion 254.55 gas IR Hunt, Leacock, et al., 1965
Olson, Hunt, et al., 1988
Masset, Lechuga-Fossat, et al., 1988
Flaud, Camy-Peyret, et al., 1989
4 Torsion 372 b Ar IR Lannon, Verderame, et al., 1971
4 Torsion 264 Ar IR Lannon, Verderame, et al., 1971
4 Torsion 378 vs b N2 IR Catalano and Sanborn, 1963
Lannon, Verderame, et al., 1971
b 5 OH a-stretch 3618.84 gas IR Bain and Giguere, 1955
Redington, Olson, et al., 1962
Olson, Hunt, et al., 1988
Cook, Hunt, et al., 1995
5 OH a-stretch 3610.66 gas IR Bain and Giguere, 1955
Redington, Olson, et al., 1962
Olson, Hunt, et al., 1988
Cook, Hunt, et al., 1995
5 OH a-stretch 3610.22 He PF Raston, Knapp, et al., 2011
5 OH a-stretch 3597.0 Ar IR Lannon, Verderame, et al., 1971
Pettersson, Tuominen, et al., 1997
5 OH a-stretch 3587.8 Ar IR Lannon, Verderame, et al., 1971
Pettersson, Tuominen, et al., 1997
5 OH a-stretch 3583.6 Kr IR Pettersson, Tuominen, et al., 1997
5 OH a-stretch 3574.0 Kr IR Pettersson, Tuominen, et al., 1997
5 OH a-stretch 3568.0 Xe IR Pettersson, Tuominen, et al., 1997
5 OH a-stretch 3560.0 Xe IR Pettersson, Tuominen, et al., 1997
5 OH a-stretch 3587 s N2 IR Catalano and Sanborn, 1963
Lannon, Verderame, et al., 1971
5 OH a-stretch 3582 s N2 IR Catalano and Sanborn, 1963
Lannon, Verderame, et al., 1971
6 OH a-bend 1273.68 gas IR DL Bain and Giguere, 1955
Hillman, Jennings, et al., 1986
Klee, Winnewisser, et al., 1999
6 OH a-bend 1264.58 gas IR DL Bain and Giguere, 1955
Hillman, Jennings, et al., 1986
Klee, Winnewisser, et al., 1999
6 OH a-bend 1277.0 m s Ar IR Lannon, Verderame, et al., 1971
Pettersson, Tuominen, et al., 1997
6 OH a-bend 1270.9 vs Ar IR Lannon, Verderame, et al., 1971
Pettersson, Tuominen, et al., 1997
6 OH a-bend 1273.7 Kr IR Pettersson, Tuominen, et al., 1997
6 OH a-bend 1268.7 Kr IR Pettersson, Tuominen, et al., 1997
6 OH a-bend 1270.3 Xe IR Pettersson, Tuominen, et al., 1997
6 OH a-bend 1265.7 Xe IR Pettersson, Tuominen, et al., 1997
6 OH a-bend 1294 vs N2 IR Catalano and Sanborn, 1963
Lannon, Verderame, et al., 1971

Additional references: Jacox, 1994, page 153; Jacox, 1998, page 229; Jacox, 2003, page 177; Oelfke and Gordy, 1969; Helminger, Bowman, et al., 1981; Bowman, De Lucia, et al., 1981; Hillman, 1982; Pelz, Yamada, et al., 1993; Petkie, Goyette, et al., 1995

Notes

mMedium
sStrong
vsVery strong
TTentative assignment or approximate value
dPhotodissociation threshold
bBroad

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, 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]

Urey, Dawsey, et al., 1929
Urey, H.C.; Dawsey, L.H.; Rice, F.O., None, J. Am. Chem. Soc., 1929, 51, 5, 1371, https://doi.org/10.1021/ja01380a011 . [all data]

Holt, McLane, et al., 1948
Holt, R.B.; McLane, C.K.; Oldenberg, O., Erratum: Ultraviolet Absorption Spectrum of Hydrogen Peroxide, J. Chem. Phys., 1948, 16, 6, 638, https://doi.org/10.1063/1.1746965 . [all data]

Schurgers and Welge, 1968
Schurgers, M.; Welge, K.H., Z. Naturforsch., 1968, 23A, 1508. [all data]

Lin, Rohatgi, et al., 1978
Lin, C.L.; Rohatgi, N.K.; DeMore, W.B., Ultraviolet absorption cross sections of hydrogen peroxide, Geophys. Res. Lett., 1978, 5, 2, 113, https://doi.org/10.1029/GL005i002p00113 . [all data]

Kahan, Washenfelder, et al., 2012
Kahan, T.F.; Washenfelder, R.A.; Vaida, V.; Brown, S.S., Cavity-Enhanced Measurements of Hydrogen Peroxide Absorption Cross Sections from 353 to 410 nm, J. Phys. Chem. A, 2012, 116, 24, 5941, https://doi.org/10.1021/jp2104616 . [all data]

Bain and Giguere, 1955
Bain, O.; Giguere, P.A., HYDROGEN PEROXIDE AND ITS ANALOGUES: VI. INFRARED SPECTRA OF H, Can. J. Chem., 1955, 33, 3, 527, https://doi.org/10.1139/v55-063 . [all data]

Redington, Olson, et al., 1962
Redington, R.L.; Olson, W.B.; Cross, P.C., Studies of Hydrogen Peroxide: The Infrared Spectrum and the Internal Rotation Problem, J. Chem. Phys., 1962, 36, 5, 1311, https://doi.org/10.1063/1.1732733 . [all data]

Giguere and Srinivasan, 1974
Giguere, P.A.; Srinivasan, T.K.K., A Raman study of H2O2 and D2O2 vapor, J. Raman Spectrosc., 1974, 2, 2, 125, https://doi.org/10.1002/jrs.1250020203 . [all data]

Olson, Hunt, et al., 1988
Olson, W.B.; Hunt, R.H.; Young, B.W.; Maki, A.G.; Brault, J.W., Rotational constants of the lowest torsional component (0G) of the ground state and lowest torsional component (1G) of the first excited torsional state of hydrogen peroxide, J. Mol. Spectrosc., 1988, 127, 1, 12, https://doi.org/10.1016/0022-2852(88)90004-5 . [all data]

Raston, Knapp, et al., 2011
Raston, P.L.; Knapp, C.J.; Jager, W., Rotovibrational spectroscopy of hydrogen peroxide embedded in superfluid helium nanodroplets, Phys. Chem. Chem. Phys., 2011, 13, 42, 18789, https://doi.org/10.1039/c1cp21348b . [all data]

Giguere and Srinivasan, 1975
Giguere, P.A.; Srinivasan, T.K.K., Raman study of matrix isolated H2O2 and D2O2, Chem. Phys. Lett., 1975, 33, 3, 479, https://doi.org/10.1016/0009-2614(75)85756-3 . [all data]

Camy-Peyret, Flaud, et al., 1992
Camy-Peyret, C.; Flaud, J.-M.; Johns, J.W.C.; Noel, M., Torsion-vibration interaction in H2O2: First high-resolution observation of «nu»3, J. Mol. Spectrosc., 1992, 155, 1, 84, https://doi.org/10.1016/0022-2852(92)90550-8 . [all data]

Hunt, Leacock, et al., 1965
Hunt, R.H.; Leacock, R.A.; Peters, C.W.; Hecht, K.T., Internal-Rotation in Hydrogen Peroxide: The Far-Infrared Spectrum and the Determination of the Hindering Potential, J. Chem. Phys., 1965, 42, 6, 1931, https://doi.org/10.1063/1.1696228 . [all data]

Masset, Lechuga-Fossat, et al., 1988
Masset, F.; Lechuga-Fossat, L.; Flaud, J.-M., et al., The far infrared spectrum of H2O2 observed and calculated rotational levels of the torsional states : (n, «tau») = (0, 1), (0, 3) and (1, 1), J. Phys. France, 1988, 49, 11, 1901, https://doi.org/10.1051/jphys:0198800490110190100 . [all data]

Flaud, Camy-Peyret, et al., 1989
Flaud, J.-M.; Camy-Peyret, C.; Johns, J.W.C.; Carli, B., The far infrared spectrum of H2O2. First observation of the staggering of the levels and determination of the cis barrier, J. Chem. Phys., 1989, 91, 3, 1504, https://doi.org/10.1063/1.457110 . [all data]

Lannon, Verderame, et al., 1971
Lannon, J.A.; Verderame, F.D.; Anderson, R.W., Jr., Infrared Spectrum of Solid and Matrix-Isolated H2O2 and D2O2, J. Chem. Phys., 1971, 54, 5, 2212, https://doi.org/10.1063/1.1675155 . [all data]

Catalano and Sanborn, 1963
Catalano, E.; Sanborn, R.H., On the Infrared Spectrum of Hydrogen Peroxide Matrix-Isolation Studies of the System H2O2:N2 (II), J. Chem. Phys., 1963, 38, 9, 2273, https://doi.org/10.1063/1.1733960 . [all data]

Cook, Hunt, et al., 1995
Cook, W.B.; Hunt, R.H.; Shelton, W.N.; Flaherty, F.A., Torsion-Rotation Energy Levels, Hindering Potential, and Inertial Parameters of the First Excited Vibrational State of the Antisymmetric O-H Stretch in Hydrogen Peroxide, J. Mol. Spectrosc., 1995, 171, 1, 91, https://doi.org/10.1006/jmsp.1995.1104 . [all data]

Pettersson, Tuominen, et al., 1997
Pettersson, M.; Tuominen, S.; Rasanen, M., IR Spectroscopic Study of H, J. Phys. Chem. A, 1997, 101, 6, 1166, https://doi.org/10.1021/jp962946u . [all data]

Hillman, Jennings, et al., 1986
Hillman, J.J.; Jennings, D.E.; Olson, W.B.; Goldman, A., High-resolution infrared spectrum of hydrogen peroxide: The «nu»6 fundamental band, J. Mol. Spectrosc., 1986, 117, 1, 46, https://doi.org/10.1016/0022-2852(86)90091-3 . [all data]

Klee, Winnewisser, et al., 1999
Klee, S.; Winnewisser, M.; Perrin, A.; Flaud, J.-M., Absolute Line Intensities for the «nu»6Band of H2O2, J. Mol. Spectrosc., 1999, 195, 1, 154, https://doi.org/10.1006/jmsp.1999.7807 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Jacox, 2003
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement B, J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629 . [all data]

Oelfke and Gordy, 1969
Oelfke, W.C.; Gordy, W., Millimeter-Wave Spectrum of Hydrogen Peroxide, J. Chem. Phys., 1969, 51, 12, 5336, https://doi.org/10.1063/1.1671954 . [all data]

Helminger, Bowman, et al., 1981
Helminger, P.; Bowman, W.C.; De Lucia, F.C., A study of the rotational-torsional spectrum of hydrogen peroxide between 80 and 700 GHz, J. Mol. Spectrosc., 1981, 85, 1, 120, https://doi.org/10.1016/0022-2852(81)90314-3 . [all data]

Bowman, De Lucia, et al., 1981
Bowman, W.C.; De Lucia, F.C.; Helminger, P., The higher K-1 states of hydrogen peroxide, J. Mol. Spectrosc., 1981, 87, 2, 571, https://doi.org/10.1016/0022-2852(81)90427-6 . [all data]

Hillman, 1982
Hillman, J.J., On the submillimeter spectrum of hydrogen peroxide, J. Mol. Spectrosc., 1982, 95, 1, 236, https://doi.org/10.1016/0022-2852(82)90250-8 . [all data]

Pelz, Yamada, et al., 1993
Pelz, G.; Yamada, K.M.T.; Winnewisser, G., Torsional Dependence of the Effective Rotational Constants of H2O2 and H2S2, J. Mol. Spectrosc., 1993, 159, 2, 507, https://doi.org/10.1006/jmsp.1993.1146 . [all data]

Petkie, Goyette, et al., 1995
Petkie, D.T.; Goyette, T.M.; Holton, J.J.; De Lucia, F.C.; Helminger, P., Millimeter/Submillimeter-Wave Spectrum of the First Excited Torsional State in HOOH, J. Mol. Spectrosc., 1995, 171, 1, 145, https://doi.org/10.1006/jmsp.1995.1108 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, References