calcium oxide
- Formula: CaO
- Molecular weight: 56.077
- IUPAC Standard InChI: InChI=1S/Ca.O
- IUPAC Standard InChIKey: ODINCKMPIJJUCX-UHFFFAOYSA-N
- CAS Registry Number: 1305-78-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Calcium monoxide
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 10.50 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 52.512 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1973 |
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) | 4500. to 6000. |
|---|---|
| A | 85.57620 |
| B | -28.20000 |
| C | 3.986480 |
| D | -0.198946 |
| E | -147.0110 |
| F | -170.5960 |
| G | 41.22770 |
| H | 10.50000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1973 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -133.21 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 14.89 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -151.75 ± 0.22 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
| ΔfH°solid | -151.79 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 9.11 ± 0.1 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 9.128 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1973 |
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) | 3200. to 4500. |
|---|---|
| A | 15.00000 |
| B | 1.106521×10-7 |
| C | -2.610032×10-8 |
| D | 2.143000×10-9 |
| E | 1.554651×10-7 |
| F | -141.4450 |
| G | 27.93760 |
| H | -133.2060 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1973 |
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 3200. |
|---|---|
| A | 11.93930 |
| B | 1.168240 |
| C | -0.084144 |
| D | 0.011039 |
| E | -0.197203 |
| F | -156.0640 |
| G | 22.12260 |
| H | -151.7900 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1973 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 6.66 ± 0.18 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 284.56 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 277.80 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 6.66 ± 0.18 | END/DER | Dalleska and Armentrout, 1994 | LL |
| 6.5 ± 0.3 | EVAL | Belyaev, Gotkis, et al., 1990 | LL |
| 7. ± 1. | EI | Farber, Srivastava, et al., 1987 | LBLHLM |
| 6.9 ± 0.15 | DER | Murad, 1983 | LBLHLM |
| 7. ± 1. | EI | Farber and Srivastava, 1976 | LLK |
| 6.5 | EI | Drowart, Exsteen, et al., 1964 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, 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]
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [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]
Dalleska and Armentrout, 1994
Dalleska, N.F.; Armentrout, P.B.,
Guided ion beam studies of reactions of alkaline earth ions with O2,
Int. J. Mass Spectrom. Ion Processes, 1994, 134, 203. [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]
Farber, Srivastava, et al., 1987
Farber, M.; Srivastava, R.D.; Moyer, J.W.; Leeper, J.D.,
Effusion mass spectrometric determination of thermodynamic properties of the gaseous mono- and di-hydroxides of calcium and KCaO(g),
J. Chem. Soc. Faraday Trans. 2, 1987, 83, 3229. [all data]
Murad, 1983
Murad, E.,
Abstraction reactions of Ca+ and Sr+ ions,
J. Chem. Phys., 1983, 78, 6611. [all data]
Farber and Srivastava, 1976
Farber, M.; Srivastava, R.D.,
The dissociation energies of calcium oxide and strontium oxide,
High Temp. Sci., 1976, 8, 73. [all data]
Drowart, Exsteen, et al., 1964
Drowart, J.; Exsteen, G.; Verhaegen, G.,
Mass spectrometric determination of the dissociation energy of the molecules MgO, CaO, SrO and Sr2O,
J. Chem. Soc. Faraday Trans., 1964, 60, 1920. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) S°solid Entropy of solid at standard conditions S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas 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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