Hydrogen peroxide
- Formula: H2O2
- Molecular weight: 34.0147
- IUPAC Standard InChIKey: MHAJPDPJQMAIIY-UHFFFAOYSA-N
- CAS Registry Number: 7722-84-1
- Chemical structure:
This structure is also available as a 2d Mol file - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
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.
Reaction thermochemistry data
Go To: Top, 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: 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- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 376.50 ± 0.50 | kcal/mol | G+TS | Ramond, Blanksby, et al., 2002 | gas phase; versus HCCH |
ΔrH° | 375.6 ± 2.1 | kcal/mol | G+TS | Bierbaum, Schmidt, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 369.50 ± 0.40 | kcal/mol | IMRE | Ramond, Blanksby, et al., 2002 | gas phase; versus HCCH |
ΔrG° | 368.6 ± 2.0 | kcal/mol | IMRE | Bierbaum, Schmidt, et al., 1981 | gas phase; value altered from reference due to change in acidity scale |
By formula: NO3- + H2O2 = (NO3- • H2O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.2 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.8 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980 |
By formula: NO2- + H2O2 = (NO2- • H2O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.2 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14.3 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO2-, Keesee, Lee, et al., 1980 |
By formula: Cl- + H2O2 = (Cl- • H2O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.1 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..Cl-, Keesee, Lee, et al., 1980 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 15.6 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..Cl-, Keesee, Lee, et al., 1980 |
By formula: HO4S- + H2O2 = (HO4S- • H2O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.9 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.7 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..HSO4-, Bohringer, Fahey, et al., 1984 |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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 - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.58 ± 0.04 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 161.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 153.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.62 | PE | Ashmore and Burgess, 1977 | LLK |
10.54 | PE | Brown, 1975 | LLK |
10.92 ± 0.05 | EI | Foner and Hudson, 1962 | RDSH |
11.26 ± 0.05 | EI | Lindeman and Guffy, 1958 | RDSH |
11.7 | PE | Ashmore and Burgess, 1977 | Vertical value; LLK |
11.69 | PE | Osafune and Kimura, 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
OH+ | 15.35 ± 0.10 | OH | EI | Foner and Hudson, 1962 | RDSH |
OH+ | 15.60 ± 0.08 | OH | EI | Lindeman and Guffy, 1958 | RDSH |
HO2+ | 15.36 ± 0.05 | H | EI | Foner and Hudson, 1962, 2 | RDSH |
H2O+ | 14.09 ± 0.10 | O | EI | Foner and Hudson, 1962 | RDSH |
O+ | 17.0 ± 1.0 | H2O | EI | Foner and Hudson, 1962 | RDSH |
O2+ | 15.8 ± 0.5 | H2 | EI | Foner and Hudson, 1962 | RDSH |
De-protonation reactions
HO2- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 376.50 ± 0.50 | kcal/mol | G+TS | Ramond, Blanksby, et al., 2002 | gas phase; versus HCCH; B |
ΔrH° | 375.6 ± 2.1 | kcal/mol | G+TS | Bierbaum, Schmidt, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 369.50 ± 0.40 | kcal/mol | IMRE | Ramond, Blanksby, et al., 2002 | gas phase; versus HCCH; B |
ΔrG° | 368.6 ± 2.0 | kcal/mol | IMRE | Bierbaum, Schmidt, et al., 1981 | gas phase; value altered from reference due to change in acidity scale; B |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - 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.