Chromium,pentacarbonyl(1H-pyrazole-N2)-(oc-6-22)-
- Formula: C8H4CrN2O5
- Molecular weight: 260.1239
- CAS Registry Number: 71127-65-6
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -146.8 ± 1.6 | kcal/mol | Review | Martinho Simões | The enthalpy of formation relies on -217.1 ± 0.62 kcal/mol for the enthalpy of formation of Cr(CO)6(g) |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: José A. Martinho Simões
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -167.9 ± 1.6 | kcal/mol | Review | Martinho Simões | The enthalpy of formation relies on -217.1 ± 0.62 kcal/mol for the enthalpy of formation of Cr(CO)6(g) |
Phase change data
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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:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 21.1 ± 0.43 | kcal/mol | DSC | Daamen, Ernsting, et al., 1979 | MS |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 21.1 ± 0.43 | 287. | ME | Daamen, Ernsting, et al., 1979, 2 | Based on data from 270. to 303. K.; AC |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.40 | PE | Daamen, Oskam, et al., 1979 | Vertical value |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.
Martinho Simões
Martinho Simões, J.A.,
Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]
Daamen, Ernsting, et al., 1979
Daamen, H.; Ernsting, J.M.; Oskam, A.,
Thermochim. Acta, 1979, 33, 217. [all data]
Daamen, Ernsting, et al., 1979, 2
Daamen, H.; Ernsting, J.M.; Oskam, A.,
Vapour pressure measurements on M(CO)5L (M = Cr, Mo, W; L = piperidine, pyridine, pyrazine, pyrazole, thiazole),
Thermochimica Acta, 1979, 33, 217-223, https://doi.org/10.1016/0040-6031(79)87044-6
. [all data]
Daamen, Oskam, et al., 1979
Daamen, H.; Oskam, A.; Stufkens, D.J.; Waaijers, H.W.,
Bonding properties of group VIB metal pentacarbonyl azole complexes studied by electronic absorption, photoelectron, 13C NMR and vibrational spectroscopy,
Inorg. Chim. Acta, 1979, 34, 253. [all data]
Notes
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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