Hydrogen peroxide

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Phase change data

Go To: Top, 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 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
Pc217.12atmN/ANikitin, Pavlov, et al., 1995Uncertainty 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
11.6320.Maass and Hiebert, 1924Based on data from 277. to 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:


Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
82000.7400.MN/A 
99000.6300.MN/AThis value is a correction of the solubility published by missing citation.
110000.7500.MN/AThis value was measured at low pH. It is superseded by a later publication of the same group missing citation.
69000.7900.MN/A 
97000.6600.TN/A 
71000.7300.QN/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. MN/AValue at T = 293. K.
71000.7000.TN/A 

Gas phase ion energetics data

Go To: Top, Phase change data, Henry's Law 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 ± 0.04eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)161.2kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity153.9kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.62PEAshmore and Burgess, 1977LLK
10.54PEBrown, 1975LLK
10.92 ± 0.05EIFoner and Hudson, 1962RDSH
11.26 ± 0.05EILindeman and Guffy, 1958RDSH
11.7PEAshmore and Burgess, 1977Vertical value; LLK
11.69PEOsafune and Kimura, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
OH+15.35 ± 0.10OHEIFoner and Hudson, 1962RDSH
OH+15.60 ± 0.08OHEILindeman and Guffy, 1958RDSH
HO2+15.36 ± 0.05HEIFoner and Hudson, 1962, 2RDSH
H2O+14.09 ± 0.10OEIFoner and Hudson, 1962RDSH
O+17.0 ± 1.0H2OEIFoner and Hudson, 1962RDSH
O2+15.8 ± 0.5H2EIFoner and Hudson, 1962RDSH

De-protonation reactions

HO2- + Hydrogen cation = Hydrogen peroxide

By formula: HO2- + H+ = H2O2

Quantity Value Units Method Reference Comment
Δr376.50 ± 0.50kcal/molG+TSRamond, Blanksby, et al., 2002gas phase; versus HCCH; B
Δr375.6 ± 2.1kcal/molG+TSBierbaum, Schmidt, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr369.50 ± 0.40kcal/molIMRERamond, Blanksby, et al., 2002gas phase; versus HCCH; B
Δr368.6 ± 2.0kcal/molIMREBierbaum, Schmidt, et al., 1981gas phase; value altered from reference due to change in acidity scale; B

References

Go To: Top, Phase change data, Henry's Law 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, Henry's Law data, Gas phase ion energetics data, References