Hydrogen peroxide
- Formula: H2O2
- Molecular weight: 34.0147
- IUPAC Standard InChIKey: MHAJPDPJQMAIIY-UHFFFAOYSA-N
- CAS Registry Number: 7722-84-1
- Chemical structure:
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Phase change 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 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 |
---|---|---|---|---|---|
Tfus | 272.26 | K | N/A | Cuthbertson, Matheson, et al., 1928 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 728. | K | N/A | Nikitin, Pavlov, et al., 1995 | Uncertainty 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 |
Pc | 217.12 | atm | N/A | Nikitin, Pavlov, et al., 1995 | Uncertainty assigned by TRC = 19.74 atm; by extrapolation of obs. Pc for aqueous solns. with pulse heating method to pure H2O2; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.6 | 320. | Maass and Hiebert, 1924 | Based on data from 277. to 363. K.; AC |
Gas phase ion energetics data
Go To: Top, Phase change 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, Phase change 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.
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]
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]
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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure Tc Critical temperature Tfus Fusion (melting) point ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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