barium oxide, obtained by calcining witherite
- Formula: BaO
- Molecular weight: 153.326
- IUPAC Standard InChI: InChI=1S/Ba.O
- IUPAC Standard InChIKey: QVQLCTNNEUAWMS-UHFFFAOYSA-N
- CAS Registry Number: 1304-28-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: barium oxide; Barium monoxide
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Condensed phase thermochemistry data
Go To: Top, 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -117.50 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1974 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 23.07 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1974 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -131.00 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1974 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 17.22 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1974 |
Liquid 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) | 2286. to 5000. |
|---|---|
| A | 16.00000 |
| B | 4.686783×10-7 |
| C | -7.889604×10-8 |
| D | 3.500001×10-9 |
| E | 8.576028×10-7 |
| F | -125.6353 |
| G | 37.35947 |
| H | -117.5017 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1974 |
Solid 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 2286. |
|---|---|
| A | 11.33540 |
| B | 3.139628 |
| C | -0.907385 |
| D | 0.173503 |
| E | -0.080487 |
| F | -134.7827 |
| G | 29.58700 |
| H | -131.0000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1974 |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry 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:
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 BaO+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 6.46 ± 0.07 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 290.49 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 283.84 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 6.91 | EI | Koitabashi, 1994 | LL |
| 6.5 ± 0.15 | EVAL | Belyaev, Gotkis, et al., 1990 | LL |
| 6.46 ± 0.07 | PE | Dyke, Feher, et al., 1987 | LBLHLM |
| 6.8 ± 0.2 | EI | Murad, 1981 | LLK |
| 6.9 ± 0.1 | EI | Rauh and Ackermann, 1976 | LLK |
| 6.5 ± 0.2 | EI | Hilpert, Naoumidis, et al., 1975 | LLK |
| 7. ± 1. | EI | Farber and Srivastava, 1975 | LLK |
| 6.97 ± 0.12 | EI | Panchenkov, Gusarov, et al., 1973 | LLK |
| 6.8 ± 0.5 | EI | Pupp, Yamdagni, et al., 1969 | RDSH |
| 6.5 ± 0.3 | EI | Mesnard, Uzan, et al., 1963 | RDSH |
| 6.89 ± 0.03 | PE | Dyke, Feher, et al., 1987 | Vertical value; LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Ba+ | ~11. | O | EI | Koitabashi, 1994 | LL |
| Ba+ | 10.95 ± 0.18 | O | EI | Panchenkov, Gusarov, et al., 1973 | LLK |
| Ba+ | 13.7 ± 0.5 | O | EI | Mesnard, Uzan, et al., 1966 | RDSH |
| Ba+ | 13.2 ± 0.2 | O | EI | Mesnard, Uzan, et al., 1963 | RDSH |
References
Go To: Top, Condensed phase thermochemistry 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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [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]
Koitabashi, 1994
Koitabashi, M.,
Mass spectrum of barium oxide vapor,
Jpn. J. Appl. Phys., 1994, 33, 5995. [all data]
Belyaev, Gotkis, et al., 1990
Belyaev, V.N.; Gotkis, I.S.; Lebedeva, N.L.; Krasnov, K.S.,
Ionization potentials of MX molecules (M = Ca, Sr, Ba; X = F, Cl, Br, I, OH, O),
Russ. J. Phys. Chem., 1990, 64, 773. [all data]
Dyke, Feher, et al., 1987
Dyke, J.M.; Feher, M.; Gravenor, B.W.J.; Morris, A.,
High-temperature photoelectron spectroscopy: A study of the alkaline earth oxides SrO and BaO,
J. Phys. Chem., 1987, 91, 4476. [all data]
Murad, 1981
Murad, E.,
Thermochemical properties of the gaseous alkaline earth monohydroxides,
J. Chem. Phys., 1981, 75, 4080. [all data]
Rauh and Ackermann, 1976
Rauh, E.G.; Ackermann, R.J.,
Erratum: First ionization potentials of some refractory oxide vapors,
J. Chem. Phys., 1976, 64, 1862. [all data]
Hilpert, Naoumidis, et al., 1975
Hilpert, K.; Naoumidis, A.; Wolff, G.,
Mass spectrometric study of the evaporation of BaAl2O4,
High Temp. Sci., 1975, 7, 1. [all data]
Farber and Srivastava, 1975
Farber, M.; Srivastava, R.D.,
The dissociation energy of barium oxide,
High Temp. Sci., 1975, 7, 74. [all data]
Panchenkov, Gusarov, et al., 1973
Panchenkov, I.G.; Gusarov, A.V.; Gorokhov, L.N.,
Dissociation energy of the barium oxide molecule,
Russ. J. Phys. Chem., 1973, 47, 55. [all data]
Pupp, Yamdagni, et al., 1969
Pupp, C.; Yamdagni, R.; Porter, R.F.,
Mass spectrometric study of the evaporation of BaMoO4 and BaWO4,
J. Inorg. Nucl. Chem., 1969, 31, 2021. [all data]
Mesnard, Uzan, et al., 1963
Mesnard, G.; Uzan, R.; Cabaud, B.,
Potentiels d'apparition des ions obtenus dans un spectrometre de masse a partir d'oxydes alcalino-terreux,
Cahiers Phys., 1963, 17, 333. [all data]
Mesnard, Uzan, et al., 1966
Mesnard, G.; Uzan, R.; Cabaud, B.,
Etude au spectrometre de masse des produits d'evaporation du bioxyde de titane et du titanate de baryum,
Rev. Phys. Appl., 1966, 1, 123. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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