zirconium tetraiodide
- Formula: I4Zr
- Molecular weight: 598.842
- CAS Registry Number: 13986-26-0
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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 | -86.599 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1975 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 106.73 | cal/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 (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 6000. |
|---|---|
| A | 25.81131 |
| B | 0.019087 |
| C | -0.005183 |
| D | 0.000443 |
| E | -0.073180 |
| F | -94.54190 |
| G | 137.5490 |
| H | -86.60000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in June, 1975 |
Vibrational and/or electronic energy levels
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 by: Takehiko Shimanouchi
Symmetry: Td Symmetry Number σ = 12
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | Sym str | 158 | B | ia | 158 | gas | |||
| e | 2 | Deg deform | 43 | B | ia | 43 | gas | |||
| f2 | 3 | Deg str | 254 | C | 254 | gas | ||||
| f2 | 4 | Deg deform | 55 | C | 55 | gas | ||||
Source: Shimanouchi, 1972
Notes
| ia | Inactive |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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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