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, 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.
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 |
Reaction thermochemistry data
Go To: Top, Gas phase 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: 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 |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes
- liquid; Bruker Tensor 37 FTIR
0.48207762, 0.48211176, 0.71088936 cm-1 resolution
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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]
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, Reaction thermochemistry data, IR Spectrum, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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