Oxygen

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
gas,1 bar205.152 ± 0.005J/mol*KReviewCox, Wagman, et al., 1984CODATA Review value
gas,1 bar205.15J/mol*KReviewChase, 1998Data last reviewed in March, 1977

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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 100. to 700.700. to 2000.2000. to 6000.
A 31.3223430.0323520.91111
B -20.235318.77297210.72071
C 57.86644-3.988133-2.020498
D -36.506240.7883130.146449
E -0.007374-0.7415999.245722
F -8.903471-11.324685.337651
G 246.7945236.1663237.6185
H 0.00.00.0
ReferenceChase, 1998Chase, 1998Chase, 1998
Comment Data last reviewed in March, 1977; New parameter fit January 2009 Data last reviewed in March, 1977; New parameter fit January 2009 Data last reviewed in March, 1977; New parameter fit January 2009

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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.

Reactions 1 to 50

Oxygen anion + Oxygen = (Oxygen anion • Oxygen)

By formula: O2- + O2 = (O2- • O2)

Quantity Value Units Method Reference Comment
Δr48. ± 20.kJ/molAVGN/AAverage of 5 out of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Δr102.J/mol*KPHPMSHiraoka, 1988gas phase; M
Δr130.J/mol*KPHPMSConway and Nesbit, 1968gas phase; M
Quantity Value Units Method Reference Comment
Δr13. ± 4.6kJ/molTDAsHiraoka, 1888gas phase; see also Sherwood, Hanold, et al., 1996. Aquino, Taylor, et al., 2001 calns indicate rectangular anion; B
Δr23. ± 4.2kJ/molIMREPayzant J.D. and Kebarle, 1972gas phase; B
Δr13. ± 4.2kJ/molIMREPack and Phelps, 1971gas phase; B
Δr16.7 ± 2.1kJ/molIMREParkes, 1971gas phase; B
Δr16. ± 4.2kJ/molTDAsConway and Nesbit, 1968gas phase; B

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
15.300.DTPack and Phelps, 1971gas phase; M

Oxygen cation + Oxygen = (Oxygen cation • Oxygen)

By formula: O2+ + O2 = (O2+ • O2)

Quantity Value Units Method Reference Comment
Δr41. ± 5.kJ/molAVGN/AAverage of 5 out of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Δr78.7J/mol*KPHPMSHiraoka, 1988gas phase; M
Δr104.7J/mol*KPHPMSConway and Janik, 1970gas phase; M
Δr84.J/mol*KPHPMSDurden, Kebarle, et al., 1969gas phase; M
Δr86.2J/mol*KPHPMSYang and Conway, 1964gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
16.300.DTRakshit and Warneck, 1981gas phase; M
14.300.DTRakshit and Warneck, 1980gas phase; M
14.296.FAHoward, Bierbaum, et al., 1972gas phase; M
25.200.FAAdams and Bohme, 1970gas phase; M

(HO2+ • 2Oxygen) + Oxygen = (HO2+ • 3Oxygen)

By formula: (HO2+ • 2O2) + O2 = (HO2+ • 3O2)

Quantity Value Units Method Reference Comment
Δr11. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr13.kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr76.6J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr84.J/mol*KN/AHiraoka, Saluja, et al., 1979gas phase; Entropy change calculated or estimated; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
4.6105.PHPMSHiraoka, Saluja, et al., 1979gas phase; Entropy change calculated or estimated; M

(Oxygen anion • 7Nitrogen • Oxygen) + Nitrogen = (Oxygen anion • 8Nitrogen • Oxygen)

By formula: (O2- • 7N2 • O2) + N2 = (O2- • 8N2 • O2)

Quantity Value Units Method Reference Comment
Δr7. ± 1.kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Δr6.40kJ/molPHPMSHiraoka, 1988, 2gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr74.9J/mol*KPHPMSHiraoka, 1988, 2gas phase; M
Δr75.3J/mol*KN/AHiraoka, 1988, 2gas phase; Entropy change calculated or estimated; M

O- + Oxygen = (O- • Oxygen)

By formula: O- + O2 = (O- • O2)

Quantity Value Units Method Reference Comment
Δr130.kJ/molPDissHiller and Vestal, 1981gas phase; From thermochemical cycle, ΔrH<; M
Δr163.kJ/molPESNovich, Engelking, et al., 1979gas phase; From thermochemical cycle, from EA(O3), D(O-O2) AND EA(O); M
Δr160.kJ/molPDissCosby, Moseley, et al., 1978gas phase; M
Δr180.kJ/molCIDLifschitz, Wu, et al., 1978gas phase; M

(Oxygen cation • Oxygen) + Oxygen = (Oxygen cation • 2Oxygen)

By formula: (O2+ • O2) + O2 = (O2+ • 2O2)

Quantity Value Units Method Reference Comment
Δr25. ± 1.kJ/molPHPMSHiraoka, 1988gas phase; M
Δr28.7 ± 0.3kJ/molPHPMSConway and Janik, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr110.J/mol*KPHPMSHiraoka, 1988gas phase; M
Δr133.0J/mol*KPHPMSConway and Janik, 1970gas phase; M

(HO2+ • Oxygen) + Oxygen = (HO2+ • 2Oxygen)

By formula: (HO2+ • O2) + O2 = (HO2+ • 2O2)

Quantity Value Units Method Reference Comment
Δr29. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Δr28.kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr96.7J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M
Δr92.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

(Oxygen cation • 3Oxygen) + Oxygen = (Oxygen cation • 4Oxygen)

By formula: (O2+ • 3O2) + O2 = (O2+ • 4O2)

Quantity Value Units Method Reference Comment
Δr9.0 ± 0.8kJ/molPHPMSHiraoka, 1988gas phase; M
Δr10.3 ± 0.75kJ/molPHPMSConway and Janik, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr88.7J/mol*KPHPMSHiraoka, 1988gas phase; M
Δr100.J/mol*KPHPMSConway and Janik, 1970gas phase; M

(Oxygen cation • 2Oxygen) + Oxygen = (Oxygen cation • 3Oxygen)

By formula: (O2+ • 2O2) + O2 = (O2+ • 3O2)

Quantity Value Units Method Reference Comment
Δr10.4 ± 0.8kJ/molPHPMSHiraoka, 1988gas phase; M
Δr10.6 ± 0.4kJ/molPHPMSConway and Janik, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr78.2J/mol*KPHPMSHiraoka, 1988gas phase; M
Δr82.8J/mol*KPHPMSConway and Janik, 1970gas phase; M

(Oxygen cation • 4Oxygen) + Oxygen = (Oxygen cation • 5Oxygen)

By formula: (O2+ • 4O2) + O2 = (O2+ • 5O2)

Quantity Value Units Method Reference Comment
Δr8.0 ± 0.8kJ/molPHPMSHiraoka, 1988gas phase; M
Δr8. ± 3.kJ/molPHPMSConway and Janik, 1970gas phase; M
Quantity Value Units Method Reference Comment
Δr89.5J/mol*KPHPMSHiraoka, 1988gas phase; M
Δr71.1J/mol*KPHPMSConway and Janik, 1970gas phase; M

O3- + Oxygen = (O3- • Oxygen)

By formula: O3- + O2 = (O3- • O2)

Quantity Value Units Method Reference Comment
Δr8.79 ± 0.84kJ/molTDAsHiraoka, 1988, 2gas phase; B,M
Quantity Value Units Method Reference Comment
Δr79.5J/mol*KPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr-15.1 ± 2.1kJ/molTDAsHiraoka, 1988, 2gas phase; B

Nitric oxide anion + Oxygen = (Nitric oxide anion • Oxygen)

By formula: NO- + O2 = (NO- • O2)

Quantity Value Units Method Reference Comment
Δr12.1 ± 0.8kJ/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr60.7J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M

Free energy of reaction

ΔrG° (kJ/mol) T (K) Method Reference Comment
-2.200.FADunkin, Fehsenfeld, et al., 1971gas phase; DG>; M

(Oxygen anion • 6Oxygen) + Oxygen = (Oxygen anion • 7Oxygen)

By formula: (O2- • 6O2) + O2 = (O2- • 7O2)

Quantity Value Units Method Reference Comment
Δr5.86kJ/molPHPMSHiraoka, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr67.J/mol*KN/AHiraoka, 1988gas phase; Entropy change calculated or estimated; M

(Oxygen cation • 7Oxygen) + Oxygen = (Oxygen cation • 8Oxygen)

By formula: (O2+ • 7O2) + O2 = (O2+ • 8O2)

Quantity Value Units Method Reference Comment
Δr7.61kJ/molPHPMSHiraoka, 1988gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KN/AHiraoka, 1988gas phase; Entropy change calculated or estimated; M

(Oxygen cation • Oxygen) + Nitrogen = (Oxygen cation • Nitrogen • Oxygen)

By formula: (O2+ • O2) + N2 = (O2+ • N2 • O2)

Quantity Value Units Method Reference Comment
Δr12.kJ/molHPMSSpeller and Fitaire, 1983gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Δr42.3J/mol*KHPMSSpeller and Fitaire, 1983gas phase; Entropy change is questionable; M

(H3+ • Oxygen) + Oxygen = (H3+ • 2Oxygen)

By formula: (H3+ • O2) + O2 = (H3+ • 2O2)

Quantity Value Units Method Reference Comment
Δr48.1kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; From thermochemical cycle(O2H+)O2; M
Quantity Value Units Method Reference Comment
Δr92.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; From thermochemical cycle(O2H+)O2; M

(O3- • 4Oxygen) + Oxygen = (O3- • 5Oxygen)

By formula: (O3- • 4O2) + O2 = (O3- • 5O2)

Quantity Value Units Method Reference Comment
Δr6.44kJ/molPHPMSHiraoka, 1988, 2gas phase; ΔrH, ΔrS approximate; M
Quantity Value Units Method Reference Comment
Δr68.6J/mol*KPHPMSHiraoka, 1988, 2gas phase; ΔrH, ΔrS approximate; M

H3+ + Oxygen = (H3+ • Oxygen)

By formula: H3+ + O2 = (H3+ • O2)

Quantity Value Units Method Reference Comment
Δr52.3kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; From thermochemical cycle(O2H+)O2; M
Quantity Value Units Method Reference Comment
Δr82.0J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; From thermochemical cycle(O2H+)O2; M

(O2S- • 2Sulfur dioxide • Oxygen) + Sulfur dioxide = (O2S- • 3Sulfur dioxide • Oxygen)

By formula: (O2S- • 2O2S • O2) + O2S = (O2S- • 3O2S • O2)

Quantity Value Units Method Reference Comment
Δr15.1 ± 1.7kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr6. ± 13.kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

(O2S- • Sulfur dioxide • Oxygen) + Sulfur dioxide = (O2S- • 2Sulfur dioxide • Oxygen)

By formula: (O2S- • O2S • O2) + O2S = (O2S- • 2O2S • O2)

Quantity Value Units Method Reference Comment
Δr19.2 ± 1.7kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr10. ± 8.4kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

(O3S- • Sulfur dioxide • Oxygen) + Sulfur dioxide = (O3S- • 2Sulfur dioxide • Oxygen)

By formula: (O3S- • O2S • O2) + O2S = (O3S- • 2O2S • O2)

Quantity Value Units Method Reference Comment
Δr23.8 ± 2.5kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr15. ± 8.8kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

Oxygen cation + Oxygen = (Oxygen cation • Oxygen)

By formula: O+ + O2 = (O+ • O2)

Quantity Value Units Method Reference Comment
Δr179.kJ/molPDissHiller and Vestal, 1982gas phase; M
Δr200.kJ/molPILinn, Ono, et al., 1981gas phase; M
Δr209.kJ/molPDissMosely, Ozenne, et al., 1981gas phase; M

(O3S- • Oxygen) + Sulfur dioxide = (O3S- • Sulfur dioxide • Oxygen)

By formula: (O3S- • O2) + O2S = (O3S- • O2S • O2)

Quantity Value Units Method Reference Comment
Δr27.2 ± 3.3kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr18. ± 9.2kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

(O2S- • Oxygen) + Sulfur dioxide = (O2S- • Sulfur dioxide • Oxygen)

By formula: (O2S- • O2) + O2S = (O2S- • O2S • O2)

Quantity Value Units Method Reference Comment
Δr46.0 ± 4.2kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr26. ± 9.2kJ/molTDAsVacher, Jorda, et al., 1992gas phase; B

(Oxygen anion • 2Nitrogen • Oxygen) + Nitrogen = (Oxygen anion • 3Nitrogen • Oxygen)

By formula: (O2- • 2N2 • O2) + N2 = (O2- • 3N2 • O2)

Quantity Value Units Method Reference Comment
Δr10.3 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr76.6J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

(Oxygen anion • 3Nitrogen • Oxygen) + Nitrogen = (Oxygen anion • 4Nitrogen • Oxygen)

By formula: (O2- • 3N2 • O2) + N2 = (O2- • 4N2 • O2)

Quantity Value Units Method Reference Comment
Δr9.0 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr78.2J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

(Oxygen anion • 4Nitrogen • Oxygen) + Nitrogen = (Oxygen anion • 5Nitrogen • Oxygen)

By formula: (O2- • 4N2 • O2) + N2 = (O2- • 5N2 • O2)

Quantity Value Units Method Reference Comment
Δr8.1 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr81.6J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

(Oxygen anion • 5Nitrogen • Oxygen) + Nitrogen = (Oxygen anion • 6Nitrogen • Oxygen)

By formula: (O2- • 5N2 • O2) + N2 = (O2- • 6N2 • O2)

Quantity Value Units Method Reference Comment
Δr7.6 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr81.6J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

(Oxygen anion • 6Nitrogen • Oxygen) + Nitrogen = (Oxygen anion • 7Nitrogen • Oxygen)

By formula: (O2- • 6N2 • O2) + N2 = (O2- • 7N2 • O2)

Quantity Value Units Method Reference Comment
Δr7.1 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr78.7J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

(Oxygen anion • Nitrogen • Oxygen) + Nitrogen = (Oxygen anion • 2Nitrogen • Oxygen)

By formula: (O2- • N2 • O2) + N2 = (O2- • 2N2 • O2)

Quantity Value Units Method Reference Comment
Δr11.7 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr74.9J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

(Nitric oxide anion • 2Oxygen) + Oxygen = (Nitric oxide anion • 3Oxygen)

By formula: (NO- • 2O2) + O2 = (NO- • 3O2)

Quantity Value Units Method Reference Comment
Δr11.8 ± 0.8kJ/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr65.7J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M

(Nitric oxide anion • 3Oxygen) + Oxygen = (Nitric oxide anion • 4Oxygen)

By formula: (NO- • 3O2) + O2 = (NO- • 4O2)

Quantity Value Units Method Reference Comment
Δr10.2 ± 0.8kJ/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr67.4J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M

(Nitric oxide anion • 4Oxygen) + Oxygen = (Nitric oxide anion • 5Oxygen)

By formula: (NO- • 4O2) + O2 = (NO- • 5O2)

Quantity Value Units Method Reference Comment
Δr9.8 ± 0.8kJ/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr80.3J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M

(Nitric oxide anion • Oxygen) + Oxygen = (Nitric oxide anion • 2Oxygen)

By formula: (NO- • O2) + O2 = (NO- • 2O2)

Quantity Value Units Method Reference Comment
Δr12.1 ± 0.8kJ/molPHPMSHiraoka and Yamabe, 1991gas phase; M
Quantity Value Units Method Reference Comment
Δr65.7J/mol*KPHPMSHiraoka and Yamabe, 1991gas phase; M

(HO2+ • 3Oxygen) + Oxygen = (HO2+ • 4Oxygen)

By formula: (HO2+ • 3O2) + O2 = (HO2+ • 4O2)

Quantity Value Units Method Reference Comment
Δr11. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr88.3J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(HO2+ • 4Oxygen) + Oxygen = (HO2+ • 5Oxygen)

By formula: (HO2+ • 4O2) + O2 = (HO2+ • 5O2)

Quantity Value Units Method Reference Comment
Δr9. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr91.6J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(HO2+ • 5Oxygen) + Oxygen = (HO2+ • 6Oxygen)

By formula: (HO2+ • 5O2) + O2 = (HO2+ • 6O2)

Quantity Value Units Method Reference Comment
Δr8. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr93.3J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(HO2+ • 6Oxygen) + Oxygen = (HO2+ • 7Oxygen)

By formula: (HO2+ • 6O2) + O2 = (HO2+ • 7O2)

Quantity Value Units Method Reference Comment
Δr8. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr94.1J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(HO2+ • 7Oxygen) + Oxygen = (HO2+ • 8Oxygen)

By formula: (HO2+ • 7O2) + O2 = (HO2+ • 8O2)

Quantity Value Units Method Reference Comment
Δr8. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr88.3J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(HO2+ • 8Oxygen) + Oxygen = (HO2+ • 9Oxygen)

By formula: (HO2+ • 8O2) + O2 = (HO2+ • 9O2)

Quantity Value Units Method Reference Comment
Δr7. ± 1.kJ/molPHPMSHiraoka and Mori, 1989gas phase; M
Quantity Value Units Method Reference Comment
Δr86.2J/mol*KPHPMSHiraoka and Mori, 1989gas phase; M

(HO2+ • Oxygen) + Hydrogen = (HO2+ • Hydrogen • Oxygen)

By formula: (HO2+ • O2) + H2 = (HO2+ • H2 • O2)

Quantity Value Units Method Reference Comment
Δr17.kJ/molPHPMSHiraoka, Saluja, et al., 1979gas phase; M
Quantity Value Units Method Reference Comment
Δr71.J/mol*KPHPMSHiraoka, Saluja, et al., 1979gas phase; M

(Oxygen anion • Oxygen) + Nitrogen = (Oxygen anion • Nitrogen • Oxygen)

By formula: (O2- • O2) + N2 = (O2- • N2 • O2)

Quantity Value Units Method Reference Comment
Δr12.0 ± 0.8kJ/molPHPMSHiraoka, 1988, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr69.0J/mol*KPHPMSHiraoka, 1988, 2gas phase; M

2Dimethyl sulfide + Oxygen = 2Dimethyl Sulfoxide

By formula: 2C2H6S + O2 = 2C2H6OS

Quantity Value Units Method Reference Comment
Δr-277.7 ± 0.84kJ/molCmDouglas, 1946liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -278.3 ± 0.8 kJ/mol; At 291°K; ALS

Dimethyl sulfone = Dimethyl Sulfoxide + 0.5Oxygen

By formula: C2H6O2S = C2H6OS + 0.5O2

Quantity Value Units Method Reference Comment
Δr243.3 ± 0.84kJ/molCmDouglas, 1946liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 246.9 ± 0.8 kJ/mol; At 291°K; ALS

(Oxygen anion • 2Oxygen) + Oxygen = (Oxygen anion • 3Oxygen)

By formula: (O2- • 2O2) + O2 = (O2- • 3O2)

Quantity Value Units Method Reference Comment
Δr10.0 ± 0.8kJ/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr89.1J/mol*KPHPMSHiraoka, 1988gas phase; M

(Oxygen anion • 3Oxygen) + Oxygen = (Oxygen anion • 4Oxygen)

By formula: (O2- • 3O2) + O2 = (O2- • 4O2)

Quantity Value Units Method Reference Comment
Δr7. ± 1.kJ/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr64.4J/mol*KPHPMSHiraoka, 1988gas phase; M

(Oxygen anion • 4Oxygen) + Oxygen = (Oxygen anion • 5Oxygen)

By formula: (O2- • 4O2) + O2 = (O2- • 5O2)

Quantity Value Units Method Reference Comment
Δr6.4 ± 0.8kJ/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr64.4J/mol*KPHPMSHiraoka, 1988gas phase; M

(Oxygen anion • 5Oxygen) + Oxygen = (Oxygen anion • 6Oxygen)

By formula: (O2- • 5O2) + O2 = (O2- • 6O2)

Quantity Value Units Method Reference Comment
Δr6. ± 1.kJ/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr67.8J/mol*KPHPMSHiraoka, 1988gas phase; M

(Oxygen cation • 5Oxygen) + Oxygen = (Oxygen cation • 6Oxygen)

By formula: (O2+ • 5O2) + O2 = (O2+ • 6O2)

Quantity Value Units Method Reference Comment
Δr8. ± 1.kJ/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr90.8J/mol*KPHPMSHiraoka, 1988gas phase; M

(Oxygen cation • 6Oxygen) + Oxygen = (Oxygen cation • 7Oxygen)

By formula: (O2+ • 6O2) + O2 = (O2+ • 7O2)

Quantity Value Units Method Reference Comment
Δr8. ± 2.kJ/molPHPMSHiraoka, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr91.6J/mol*KPHPMSHiraoka, 1988gas phase; M

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), 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

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61306

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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Wagner, Ewers, et al., 1976
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Rakshit and Warneck, 1981
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Rakshit and Warneck, 1980
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Howard, Bierbaum, et al., 1972
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Adams and Bohme, 1970
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Hiraoka, Saluja, et al., 1979
Hiraoka, K.; Saluja, P.P.S.; Kebarle, P., Stabilities of Complexes (N2)nH+, (CO)nH+ and (O2)nH+ for n = 1 to 7 Based on Gas Phase Ion Equilibrium Measurements, Can. J. Chem., 1979, 57, 16, 2159, https://doi.org/10.1139/v79-346 . [all data]

Hiraoka, 1988, 2
Hiraoka, K., Determination of the Stabilities of O3-(N2)n, O3-(O2)n, and O4-(N2)n from Measurements of the Gas Phase Equilibria, Chem. Phys., 1988, 125, 2-3, 439, https://doi.org/10.1016/0301-0104(88)87096-4 . [all data]

Hiller and Vestal, 1981
Hiller, J.F.; Vestal, M.L., Laser Photodissociation of O3- by Triple Quadrupole Mass Spectrometry, J. Chem. Phys., 1981, 74, 11, 6096, https://doi.org/10.1063/1.441053 . [all data]

Novich, Engelking, et al., 1979
Novich, S.E.; Engelking, P.C.; Jones, P.L.; Futrell, J.H.; Lineberger, W.C., Laser photoelectron, photodetachment, and photodestruction spectra of O3-, J. Chem. Phys., 1979, 70, 2652. [all data]

Cosby, Moseley, et al., 1978
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Hiraoka, K.; Yamabe, S., Cluster Ions: Gas Phase Stabilities of NO+(O2)n and NO+(CO2)n with n = 1 - 5, J. Chem. Phys., 1991, 95, 9, 6800, https://doi.org/10.1063/1.461518 . [all data]

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Hiller and Vestal, 1982
Hiller, J.F.; Vestal, M.L., Laser Photodissociation of O3+ and the Energetics of Ozone and its Ions, J. Chem. Phys., 1982, 77, 3, 1248, https://doi.org/10.1063/1.444000 . [all data]

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Mosely, Ozenne, et al., 1981
Mosely, J.T.; Ozenne, J.B.; Cosby, P.C., Photofragment Spectroscopy of O3+, J. Chem. Phys., 1981, 74, 1, 337, https://doi.org/10.1063/1.440839 . [all data]

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Notes

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