chromium trioxide
- Formula: CrO3
- Molecular weight: 99.9943
- CAS Registry Number: 1333-82-0
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Gas 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°gas | -70.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1973 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 63.616 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 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) | 298. to 1100. | 1100. to 6000. |
|---|---|---|
| A | 8.804350 | 19.77110 |
| B | 26.45851 | 0.056479 |
| C | -24.17490 | -0.011446 |
| D | 7.857190 | 0.000794 |
| E | -0.121605 | -0.987354 |
| F | -74.01150 | -78.73310 |
| G | 66.70330 | 83.20961 |
| H | -70.00010 | -70.00010 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1973 | Data last reviewed in December, 1973 |
Gas phase ion energetics data
Go To: Top, Gas 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 compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 3.660 ± 0.020 | LPES | Gutsev, Jena, et al., 2001 | B |
| 3.64 ± 0.18 | R-A | Rudnyi, Vovk, et al., 1989 | Multi-parameter fit to many IMRE, Ion-ion Eq. ΔHf(A-) at 0 K; value altered from reference due to conversion from electron convention to ion convention; B |
| 3.70 ± 0.30 | R-A | Rudny, Sidirov, et al., 1985 | value altered from reference due to conversion from electron convention to ion convention; B |
| 2.50 ± 0.30 | IMRB | Bricker and Russell, 1987 | EA between Cr(CO)5, chloranil.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.6 ± 0.5 | EI | Grimley, Burns, et al., 1961 | RDSH |
References
Go To: Top, Gas 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]
Gutsev, Jena, et al., 2001
Gutsev, G.L.; Jena, P.; Zhai, H.J.; Wang, L.S.,
Electronic structure of chromium oxides, CrOn- and CrOn (n=1-5) from photoelectron spectroscopy and density functional theory calculations,
J. Chem. Phys., 2001, 115, 17, 7935-7944, https://doi.org/10.1063/1.1405438
. [all data]
Rudnyi, Vovk, et al., 1989
Rudnyi, E.B.; Vovk, O.M.; Kaibicheva, E.A.; Sidorov, L.N.,
Formation Enthalpies of Oxygen Containing Anions of Group VI Elements in the Gas Phase and the Electron Affinities of CrO3, MoO3, and WO3,
J. Chem. Thermodyn., 1989, 21, 3, 247, https://doi.org/10.1016/0021-9614(89)90014-1
. [all data]
Rudny, Sidirov, et al., 1985
Rudny, E.B.; Sidirov, L.N.; Kuligina, L.A.; Semenov, G.A.,
Heterolytic dissociation of potassium chromate in the gas phase and the electron affinity of chromium oxides,
Int. J. Mass Spectrom. Ion Phys., 1985, 64, 95. [all data]
Bricker and Russell, 1987
Bricker, D.L.; Russell, D.H.,
A Study of the Ion/Molecule Reactions of the Cr(CO)5- Anion with Oxygen,
J. Am. Chem. Soc., 1987, 109, 13, 3910, https://doi.org/10.1021/ja00247a014
. [all data]
Grimley, Burns, et al., 1961
Grimley, R.T.; Burns, R.P.; Inghram, M.G.,
Thermodynamics of the vaporization of Cr2O3: dissociation energies of CrO, CrO2, and CrO3,
J. Chem. Phys., 1961, 34, 664. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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