zirconium tetrafluoride
- Formula: F4Zr
- Molecular weight: 167.218
- IUPAC Standard InChI: InChI=1S/4FH.Zr/h4*1H;/p-1
- IUPAC Standard InChIKey: NLGFRLRLBUOAEJ-UHFFFAOYSA-M
- CAS Registry Number: 7783-64-4
- Chemical structure:
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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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -1673.60 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1975 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 319.39 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1975 |
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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| Temperature (K) | 298. to 6000. |
|---|---|
| A | 104.4167 |
| B | 3.106352 |
| C | -0.837700 |
| D | 0.071272 |
| E | -1.639702 |
| F | -1710.361 |
| G | 435.6381 |
| H | -1673.600 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1975 |
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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -1911.25 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1975 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 104.66 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1975 |
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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1400. |
|---|---|
| A | 107.7292 |
| B | 47.06080 |
| C | -28.78115 |
| D | 9.510233 |
| E | -1.414556 |
| F | -1949.987 |
| G | 214.2405 |
| H | -1911.251 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1975 |
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 by: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 240. ± 7. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| ZrF+ | 29.4 ± 0.5 | ? | EI | Murad and Hildenbrand, 1966 | |
| ZrF2+ | 23.4 ± 0.5 | ? | EI | Murad and Hildenbrand, 1966 | |
| ZrF3+ | 14.5 ± 0.5 | F | EI | Murad and Hildenbrand, 1966 | |
| Zr+ | 29.5 ± 0.5 | ? | EI | Murad and Hildenbrand, 1966 |
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.
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Murad and Hildenbrand, 1966
Murad, E.; Hildenbrand, D.L.,
Mass-spectrometric study of the thermodynamic properties of Zr-F species,
J. Chem. Phys., 1966, 45, 4751. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°solid Entropy of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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