barium bromide
- Formula: BaBr2
- Molecular weight: 297.135
- CAS Registry Number: 10553-31-8
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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 | -101.50 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1974 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 81.757 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1974 |
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) | 3000. - 6000. |
|---|---|
| A | 13.90483 |
| B | 0.004832 |
| C | -0.001334 |
| D | 0.000115 |
| E | -0.024623 |
| F | -105.7285 |
| G | 98.44312 |
| H | -101.5000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1974 |
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°liquid | -174.52 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1974 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 41.135 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1974 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -181.10 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1974 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 35.500 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1974 |
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) | 1130. - 3000. |
|---|---|
| A | 25.05999 |
| B | 1.806680×10-9 |
| C | -8.124969×10-10 |
| D | 1.218720×10-10 |
| E | 2.738191×10-10 |
| F | -184.6800 |
| G | 65.96721 |
| H | -174.5200 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1974 |
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. - 1130. |
|---|---|
| A | 16.86630 |
| B | 5.167460 |
| C | -0.000389 |
| D | 0.000395 |
| E | -0.000016 |
| F | -186.3590 |
| G | 54.37020 |
| H | -181.1000 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1974 |
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 as indicated in comments:
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
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.2 | S | Emons, Kiessling, et al., 1982 | LBLHLM |
| 8.5 | PE | Lee and Potts, 1979 | LLK |
| ≤8.63 | PE | Lee and Potts, 1979, 2 | LLK |
| 9.0 | PE | Lee and Potts, 1979 | Vertical value; LLK |
| 9.40 ± 0.02 | PE | Lee and Potts, 1979, 2 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| Ba+ | 13.95 | Br2 | S | Emons, Kiessling, et al., 1982 | LBLHLM |
| BaBr+ | 9.6 | Br | S | Emons, Kiessling, et al., 1982 | LBLHLM |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, 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]
Emons, Kiessling, et al., 1982
Emons, H.-H.; Kiessling, D.; Horlbeck, W.,
Dampfdruckmessungen und massenspektrometrische untersuchungen der gasphase uber erdalkalimetallhalogeniden,
Z. Anorg. Allg. Chem., 1982, 488, 219. [all data]
Lee and Potts, 1979
Lee, E.P.F.; Potts, A.W.,
The HeII α Photoelectron Spectra of the Barium Halides,
Chem. Phys. Lett., 1979, 63, 61. [all data]
Lee and Potts, 1979, 2
Lee, E.P.F.; Potts, A.W.,
An investigation of the valence shell electronic structure of alkaline earth halides by using Ab initio S. C. F. calculations and photoelectron spectroscopy,
Proc. R. Soc. London A:, 1979, 365, 395. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, References
- Symbols used in this document:
AE Appearance 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 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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