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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Gas phase thermochemistry data
Go To: Top, Phase change data, Henry's Law 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 |
---|---|---|---|---|---|
ΔfH°gas | -32.531 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1960 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 55.676 | cal/mol*K | Review | Chase, 1998 | Data 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 (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1500. |
---|---|
A | 8.187541 |
B | 13.18940 |
C | -8.402111 |
D | 2.171951 |
E | -0.100898 |
F | -35.82930 |
G | 61.43891 |
H | -32.53021 |
Reference | Chase, 1998 |
Comment | Data last reviewed in December, 1960 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Henry's Law 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, 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 |
Henry's Law 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
82000. | 7400. | M | N/A | |
99000. | 6300. | M | N/A | This value is a correction of the solubility published by missing citation. |
110000. | 7500. | M | N/A | This value was measured at low pH. It is superseded by a later publication of the same group missing citation. |
69000. | 7900. | M | N/A | |
97000. | 6600. | T | N/A | |
71000. | 7300. | Q | N/A | missing citation refer to several references in their list of Henry's law constants but they don't assign them to specific species. |
140000. | M | N/A | Value at T = 293. K. | |
71000. | 7000. | T | N/A |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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 - 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 |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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: John 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
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 |
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: 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 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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]
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]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tc Critical temperature Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH°gas Enthalpy of formation of gas at standard conditions 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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