Oxygen

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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

Quantity Value Units Method Reference Comment
Tboil90.2KN/AStreng, 1971Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tfus54.8KN/AStreng, 1971Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple54.33KN/AHenning and Otto, 1936Uncertainty assigned by TRC = 0.06 K; temperature measured with He gas thermometer; TRC
Quantity Value Units Method Reference Comment
Tc154.58KN/APentermann and Wagner, 1978Uncertainty assigned by TRC = 0.0015 K; TRC
Tc154.58KN/AWagner, Ewers, et al., 1976Uncertainty assigned by TRC = 0.0015 K; TRC
Tc155.15KN/ACardoso, 1915Uncertainty assigned by TRC = 0.3 K; 4 determinations with same result; TRC
Quantity Value Units Method Reference Comment
Pc50.43barN/AWagner, Ewers, et al., 1976Uncertainty assigned by TRC = 0.005 bar; Vapour-pressure measurements give pc=5.04332 MPa at Tc from L.A.Weber, 1970 PRT, IPTS-68, PP+ differential pressure transducer.; TRC
Pc50.0343barN/ACardoso, 1915Uncertainty assigned by TRC = 0.3039 bar; TRC
Pc49.9228barN/ACardoso, 1915Uncertainty assigned by TRC = 0.3039 bar; TRC
Pc49.8519barN/ACardoso, 1915Uncertainty assigned by TRC = 0.3039 bar; TRC
Quantity Value Units Method Reference Comment
ρc13.60mol/lN/APentermann and Wagner, 1978Uncertainty assigned by TRC = 0.014 mol/l; from density measurements 65 to 300 K, Tc from Weber, 1970; TRC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
54.36 to 100.163.85845325.675-5.667Brower and Thodos, 1968Coefficents calculated by NIST from author's data.
54.36 to 154.333.9523340.024-4.144Brower and Thodos, 1968Coefficents calculated by NIST from author's data.

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

Go To: Top, Phase change 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: 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
0.00131500.LN/A 
0.00131700.QN/AOnly the tabulated data between T = 273. K and T = 303. K from missing citation was used to derive kH and -Δ kH/R. Above T = 303. K the tabulated data could not be parameterized by equation (reference missing) very well. The partial pressure of water vapor (needed to convert some Henry's law constants) was calculated using the formula given by missing citation. The quantities A and α from missing citation were assumed to be identical.
0.0013 N/AN/A 
0.00121700.XN/A 
0.00131500.LN/A 
0.00121800.MN/A 
0.00131700.XN/AThe value is taken from the compilation of solubilities by W. Asman (unpublished).

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
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to O2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)12.0697 ± 0.0002eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)421.kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity396.3kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.4480 ± 0.0060LPESErvin, Anusiewicz, et al., 2003B
0.4510 ± 0.0070LPESTravers, Cowles, et al., 1989B
0.4400 ± 0.0080LPESCelotta, Bennett, et al., 197289SAW puts DH(H-O2.) at 59 kcal/mol, implying ΔHacid=362.5; B
0.451 ± 0.052ECDChen and Wentworth, 1983B
0.44 ± 0.10CIDTTiernan and Wu, 1978From O2-; B
0.40 ± 0.10NBIEDurup, Parlant, et al., 1977B
0.450 ± 0.024ETSBurrow, 1974B
0.50 ± 0.10NBIEBaeda, 1972B
0.430 ± 0.030LPESCelotta, Bennett, et al., 1971B
0.460 ± 0.050NBIENalley and Compton, 1971B
>0.45 ± 0.10EndoTiernan, Hughes, et al., 1971B
0.50 ± 0.20NBIELacmann and Herschbach, 1970B
0.430 ± 0.020KinePack and Phelps, 1966B
>0.479998EndoBerkowitz, Chupka, et al., 1971B
>0.56 ± 0.10EndoChantry, 1971B
0.725005ECDChen and Chen, 2003B
>1.27 ± 0.20EndoBailey and Mahadevan, 1970B
1.119 ± 0.069IMRBVogt, Hauffle, et al., 1970B
>1.10 ± 0.10EIAEStockdale, Compton, et al., 1969From NO2; B
0.150 ± 0.050PDBurch, Smith, et al., 1958B

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
421. ± 3.Litorja and Ruscic, 1998T = 298K; MM

Ionization energy determinations

IE (eV) Method Reference Comment
12.0697 ± 0.0002STonkyn, Winniczek, et al., 1989LL
12.1 ± 0.1EIGrade, Wienecke, et al., 1983LBLHLM
12.8 ± 0.5EIGomez, Chatillon, et al., 1982LBLHLM
12.0 ± 1.0SFarber, Srivastava, et al., 1982LBLHLM
12.076 ± 0.002PEMacNeil and Dixon, 1977LLK
12.071PEKronebusch and Berkowitz, 1976LLK
12.071 ± 0.001PESamson and Gardner, 1975LLK
12.0 ± 0.5EIHildenbrand, 1975LLK
12.2 ± 0.2EIBennett, Lin, et al., 1974LLK
12.07 ± 0.01PITanaka and Tanaka, 1973LLK
12.08PENatalis, 1973LLK
12.077PEDromey, Morrison, et al., 1973LLK
12.127PEVilesov and Lopatin, 1972LLK
12.072 ± 0.008PIDibeler and Walker, 1967RDSH
12.059 ± 0.001SSamson and Cairns, 1966RDSH
12.078 ± 0.005PIBrehm, 1966RDSH
12.065 ± 0.003PINicholson, 1963RDSH
12.08 ± 0.01PIWatanabe, 1957RDSH
12.30PEKimura, Katsumata, et al., 1981Vertical value; LLK
12.33 ± 0.01PEBanna and Shirley, 1976Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
O+18.734OPIPECOBlyth, Powis, et al., 1981LLK
O+17.28O-PIOertel, Schenk, et al., 1980LLK
O+18.69 ± 0.04OEILocht and Schopman, 1974LLK
O+17.3 ± 0.2O-EILocht and Momigny, 1971LLK
O+17.25 ± 0.01O-PIDibeler and Walker, 1967RDSH
O+17.272 ± 0.024O-PIElder, Villarejo, et al., 1965RDSH
O+18.8 ± 0.4OPIWeissler, Samson, et al., 1959RDSH
O+18.99 ± 0.05OEIFrost and McDowell, 1959RDSH

Anion protonation reactions

Oxygen anion + Hydrogen cation = Hydroperoxy radical

By formula: O2- + H+ = HO2

Quantity Value Units Method Reference Comment
Δr1476.9 ± 3.0kJ/molD-EATravers, Cowles, et al., 1989gas phase; B
Quantity Value Units Method Reference Comment
Δr1450.5 ± 3.4kJ/molH-TSTravers, Cowles, et al., 1989gas phase; 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.

Streng, 1971
Streng, A.G., Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature, J. Chem. Eng. Data, 1971, 16, 357. [all data]

Henning and Otto, 1936
Henning, F.; Otto, J., Vapor pressure curves and triple points in the temperature region from 14 to 90 k, Phys. Z., 1936, 37, 633-8. [all data]

Pentermann and Wagner, 1978
Pentermann, W.; Wagner, W., New pressure-density-temperature measurements and new rational equations for the saturated liquid and vapor densities of oxygen, J. Chem. Thermodyn., 1978, 10, 1161-1172. [all data]

Wagner, Ewers, et al., 1976
Wagner, W.; Ewers, J.; Pentermann, W., A New Vapor-Pressure Measurement and a New Rational Vapor-Pressure Equation for Oxygen, J. Chem. Thermodyn., 1976, 8, 1049. [all data]

Cardoso, 1915
Cardoso, E., Study of the Critical Point of Several Difficultly LIquifiable Gases: Nitrogen, Carbon Monoxide, Oxygen and Methane, J. Chim. Phys. Phys.-Chim. Biol., 1915, 13, 312. [all data]

Brower and Thodos, 1968
Brower, G.T.; Thodos, G., Vapor Pressures of Liquid Oxygen Between the Triple Point and Critical Point, J. Chem. Eng. Data, 1968, 13, 2, 262-264, https://doi.org/10.1021/je60037a038 . [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]

Ervin, Anusiewicz, et al., 2003
Ervin, K.M.; Anusiewicz, W.; Skurski, P.; Simons, J.; Lineberger, W.C., The only stable state of O-2(-) is the X (2)Pi(g) ground state and it (still!) has an adiabatic electron detachment energy of, J. Phys. Chem. A, 2003, 107, 41, 8521-8529, https://doi.org/10.1021/jp0357323 . [all data]

Travers, Cowles, et al., 1989
Travers, M.J.; Cowles, D.C.; Ellison, G.B., Reinvestigation of the Electron Affinities of O2 and NO, Chem. Phys. Lett., 1989, 164, 5, 449, https://doi.org/10.1016/0009-2614(89)85237-6 . [all data]

Celotta, Bennett, et al., 1972
Celotta, R.J.; Bennett, R.A.; Hall, J.L.; Siegel, M.W.; Levine, J., Molecular photodetachment spectrometry. II. The electron affinity of O2 and the structure of O2-, Phys. Rev. A:, 1972, 6, 631. [all data]

Chen and Wentworth, 1983
Chen, E.C.M.; Wentworth, W.E., Determination of molecular electron affinities using the electron capture detector in the pulse sampling mode at steady state, J. Phys. Chem., 1983, 87, 45. [all data]

Tiernan and Wu, 1978
Tiernan, T.O.; Wu, R.L.C., Thermochemical Data for Molecular Negative Ions from Collisional Dissociation Thresholds, Adv. Mass Spectrom., 1978, 7A, 136. [all data]

Durup, Parlant, et al., 1977
Durup, M.; Parlant, G.; Appell, J.; Durup, J.; Ozenne, J.-B., Translational spectroscopy of neutralization-reionization double collision processes of Ar+ ions at keV energies, Chem. Phys., 1977, 25, 245. [all data]

Burrow, 1974
Burrow, P.D., Temporary negative ion formation in NO and O2, Chem. Phys. Lett., 1974, 26, 265. [all data]

Baeda, 1972
Baeda, A.P.M., The adiabatic electron affinities of Cl2, Br2, I2, IBr, NO2, and O2, Physica, 1972, 59, 541. [all data]

Celotta, Bennett, et al., 1971
Celotta, R.J.; Bennett, R.A.; Hall, J.L.; Levine, J.; Siegel, M.W., Electron affinity of O2 by laser photodetachment, Bull. Am. Phys. Soc., 1971, 16, 212. [all data]

Nalley and Compton, 1971
Nalley, S.J.; Compton, R.N., Collisional ionization of cesium by oxygen: The electron affinity of O2, Chem. Phys. Lett., 1971, 9, 529. [all data]

Tiernan, Hughes, et al., 1971
Tiernan, T.O.; Hughes, B.M.; Lifschitz, C., Electron affinities from endothermic negative ion charge transfer reactions. II. O2, J. Chem. Phys., 1971, 55, 5692. [all data]

Lacmann and Herschbach, 1970
Lacmann, K.; Herschbach, D.R., Collisional Excitation and Ionization of K Atoms by Diatomic Molecules: Role of Ion-pair States, Chem. Phys. Lett., 1970, 6, 2, 106, https://doi.org/10.1016/0009-2614(70)80144-0 . [all data]

Pack and Phelps, 1966
Pack, J.L.; Phelps, A.V., Electron Attachment and Detachment. I. Pure O2 at Low Energy, J. Chem. Phys., 1966, 44, 5, 1870, https://doi.org/10.1063/1.1726956 . [all data]

Berkowitz, Chupka, et al., 1971
Berkowitz, J.; Chupka, W.A.; Gutman, D., Electron Affinities of O2, O3, NO, NO2, and NO3 by Endothermic Charge Transfer, J. Chem. Phys., 1971, 55, 6, 2733, https://doi.org/10.1063/1.1676488 . [all data]

Chantry, 1971
Chantry, P.J., Doppler broadening in beam experiments, J. Chem. Phys., 1971, 55, 2746. [all data]

Chen and Chen, 2003
Chen, E.S.; Chen, E.C.M., Semiempirical characterization of homonuclear diatomic ions: 6. Group VI and VII anions, J. Phys. Chem. A, 2003, 107, 1, 169-177, https://doi.org/10.1021/jp0268922 . [all data]

Bailey and Mahadevan, 1970
Bailey, T.L.; Mahadevan, P., Electron Transfer and Detachment in Collisions of Low Energy Negative Ions with O2, J. Chem. Phys., 1970, 52, 1, 179, https://doi.org/10.1063/1.1672663 . [all data]

Vogt, Hauffle, et al., 1970
Vogt, D.; Hauffle, B.; Neuert, H., Ladungsaustausch-Reaktionen Einiger Negativer Ionen mit O2 und die Elektronenaffinitat des O2, Z. Phys., 1970, 232, 5, 439, https://doi.org/10.1007/BF01395674 . [all data]

Stockdale, Compton, et al., 1969
Stockdale, J.A.D.; Compton, R.N.; Hurst, G.S.; Reinhardt, P.W., Collisions of Monoenergetic Electrons with NO2: Possible Lower Limits to the Electron Affinities of O2 and NO, J. Chem. Phys., 1969, 50, 5, 2176, https://doi.org/10.1063/1.1671347 . [all data]

Burch, Smith, et al., 1958
Burch, D.S.; Smith, S.J.; Branscomb, L.M., Photodetachment of O2-., Phys. Rev., 1958, 112, 1, 171, https://doi.org/10.1103/PhysRev.112.171 . [all data]

Litorja and Ruscic, 1998
Litorja, M.; Ruscic, B., A photoionization study of the hydroperoxyl radical, HO2, and hydrogen peroxide, H2O2, J. Electron Spectroscopy and Related Phenomena, 1998, 97, 131. [all data]

Tonkyn, Winniczek, et al., 1989
Tonkyn, R.G.; Winniczek, J.W.; White, M.G., Rotationally resolved photoionization of O2 near threshold, Chem. Phys. Lett., 1989, 164, 137. [all data]

Grade, Wienecke, et al., 1983
Grade, M.; Wienecke, J.; Rosinger, W.; Hirschwald, W., Electron impact investigation of the molecules SeS(g) and TeSe(g) under high-temperature equilibrium conditions, Ber. Bunsen-Ges. Phys. Chem., 1983, 87, 355. [all data]

Gomez, Chatillon, et al., 1982
Gomez, M.; Chatillon, C.; Allibert, M., Thermodynamics of gaseous and condensed indium oxides by mass spectrometry with controlled oxygen oressure, J. Chem. Thermodyn., 1982, 14, 447. [all data]

Farber, Srivastava, et al., 1982
Farber, M.; Srivastava, R.D.; Moyer, J.W., Mass spectrometric determination of the thermodynamics of potassium hydroxide and minor potassium-containing species required in magnetohydrodynamic power systems, J. Chem. Thermodyn., 1982, 14, 1103. [all data]

MacNeil and Dixon, 1977
MacNeil, K.A.G.; Dixon, R.N., High-resolution photoelectron spectroscopy of methanol and its deuterated derivatives: Internal rotation in the ground ionic state, J. Electron Spectrosc. Relat. Phenom., 1977, 11, 315. [all data]

Kronebusch and Berkowitz, 1976
Kronebusch, P.L.; Berkowitz, J., Photodissociative ionization in the 21-41 eV region: O2, N2, CO, NO, CO2, H2O, NH3 and CH4, Int. J. Mass Spectrom. Ion Phys., 1976, 22, 283. [all data]

Samson and Gardner, 1975
Samson, J.A.R.; Gardner, J.L., On the ionization potential of molecular oxygen, Can. J. Phys., 1975, 53, 1948. [all data]

Hildenbrand, 1975
Hildenbrand, D.L., Vertical ionization potential of the CF2 radical, Chem. Phys. Lett., 1975, 32, 30. [all data]

Bennett, Lin, et al., 1974
Bennett, S.L.; Lin, S.-S.; Gilles, P.W., High-temperature vaporization of ternary systems. I. Mass spectrometry of oxygen-rich vanadium-tungsten-oxygen species, J. Phys. Chem., 1974, 78, 266. [all data]

Tanaka and Tanaka, 1973
Tanaka, K.; Tanaka, I., Photoelectron spectra from some autoionizing state of O2 near the ionization threshold, J. Chem. Phys., 1973, 59, 5042. [all data]

Natalis, 1973
Natalis, P., Contribution a la spectroscopie photoelectronique. Effets de l'autoionisation dans less spectres photoelectroniques de molecules diatomiques et triatomiques, Acad. R. Belg. Mem. Cl. Sci. Collect. 8, 1973, 41, 1. [all data]

Dromey, Morrison, et al., 1973
Dromey, R.G.; Morrison, J.D.; Peel, J.B., Time-averaged and deconvoluted photoelectron spectrum of the first band of O2, Chem. Phys. Lett., 1973, 23, 30. [all data]

Vilesov and Lopatin, 1972
Vilesov, F.I.; Lopatin, S.N., Photoelectron spectrometer, Zh. Tekh. Fiz., 1972, 42, 176. [all data]

Dibeler and Walker, 1967
Dibeler, V.H.; Walker, J.A., Mass spectrometric study of the photoionization of small polyatomic molecules, Advan. Mass Spectrom., 1967, 4, 767. [all data]

Samson and Cairns, 1966
Samson, J.A.R.; Cairns, R.B., Ionization potential of O2, J. Opt. Soc. Am., 1966, 56, 769. [all data]

Brehm, 1966
Brehm, B., Massenspektrometrische Untersuchung der Photoionisation von Molekulen, Z. Naturforsch., 1966, 21a, 196. [all data]

Nicholson, 1963
Nicholson, A.J.C., Photo-ionization efficiency curves. Measurement of ionization potentials and interpretation of fine structure, J. Chem. Phys., 1963, 39, 954. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Banna and Shirley, 1976
Banna, M.S.; Shirley, D.A., Molecular photoelectron spectroscopy at 132.3 eV: N2, CO, C2H4 and O2, J. Electron Spectrosc. Relat. Phenom., 1976, 8, 255. [all data]

Blyth, Powis, et al., 1981
Blyth, R.C.G.; Powis, I.; Danby, C.J., Competing pre-dissociations of O2+(B 2Σg-), Chem. Phys. Lett., 1981, 84, 272. [all data]

Oertel, Schenk, et al., 1980
Oertel, H.; Schenk, H.; Baumgartel, H., Ion pair formation from photon irradiation of O2, NO and CO in 17-30 eV, Chem. Phys., 1980, 46, 251. [all data]

Locht and Schopman, 1974
Locht, R.; Schopman, J., The dissociative ionization in oxygen, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 361. [all data]

Locht and Momigny, 1971
Locht, R.; Momigny, J., Mass spectrometric study of ion-pair processes in diatomic molecules: H2, CO, NO and O2, Int. J. Mass Spectrom. Ion Phys., 1971, 7, 121. [all data]

Elder, Villarejo, et al., 1965
Elder, F.A.; Villarejo, D.; Inghram, M.G., Electron affinity of oxygen, J. Chem. Phys., 1965, 43, 758. [all data]

Weissler, Samson, et al., 1959
Weissler, G.L.; Samson, J.A.R.; Ogawa, M.; Cook, G.R., Photoionization analysis by mass spectroscopy, J. Opt. Soc. Am., 1959, 49, 338. [all data]

Frost and McDowell, 1959
Frost, D.C.; McDowell, C.A., Recent electron impact studies on simple molecules (O2, Cl2, I2), Advan. Mass Spectrom., 1959, 1, 413. [all data]


Notes

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