sodium bromide
- Formula: BrNa
- Molecular weight: 102.894
- IUPAC Standard InChI: InChI=1S/BrH.Na/h1H;/q;+1/p-1
- IUPAC Standard InChIKey: JHJLBTNAGRQEKS-UHFFFAOYSA-M
- CAS Registry Number: 7647-15-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, 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 | -34.400 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1964 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 57.653 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1964 |
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) | 2500. to 6000. |
|---|---|
| A | 8.928500 |
| B | 0.198213 |
| C | -0.003246 |
| D | 0.000278 |
| E | -0.027415 |
| F | -37.16291 |
| G | 68.24369 |
| H | -34.40010 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1964 |
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 | -81.104 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1964 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid,1 bar | 24.943 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1964 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | -86.379 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1964 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid | 20.75 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1964 |
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) | 1020. to 2500. |
|---|---|
| A | 14.90010 |
| B | -2.034290×10-10 |
| C | 1.398711×10-10 |
| D | -2.978600×10-11 |
| E | -4.052240×10-12 |
| F | -85.54761 |
| G | 42.97481 |
| H | -81.10500 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1964 |
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. to 1020. |
|---|---|
| A | 11.99360 |
| B | 2.419181 |
| C | 0.230106 |
| D | -0.006789 |
| E | -0.039580 |
| F | -90.19790 |
| G | 34.31250 |
| H | -86.38009 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in September, 1964 |
Reaction 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
2 +
=
+
+ CNO.Na
By formula: 2HNaO + CBrN = BrNa + H2O + CNO.Na
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -56.06 ± 0.17 | kcal/mol | Cm | Lord and Woolf, 1954 | solid phase; Heat of hydrolysis |
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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 8.3 ± 0.1 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.788 ± 0.010 | LPES | Miller, Leopold, et al., 1986 | B |
| 0.940004 | NBAE | De Vreugd, Wijnaendts van Resandt, et al., 1979 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.3 ± 0.1 | PE | Potts and Price, 1977 | LLK |
| 8.3 ± 0.1 | PE | Potts, Williams, et al., 1974 | LLK |
| 8.7 | PE | Goodman, Allen, et al., 1974 | Vertical value; LLK |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction 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]
Lord and Woolf, 1954
Lord, G.; Woolf, A.A.,
The cyanogen halides. Part III. Their heats of formation and free energies,
J. Chem. Soc., 1954, 2546-2551. [all data]
Miller, Leopold, et al., 1986
Miller, T.M.; Leopold, D.G.; Murray, K.K.; Lineberger, W.C.,
Electron Affinities of the Alkali Halides and the Structure of their Negative Ions,
J. Chem. Phys., 1986, 85, 5, 2368, https://doi.org/10.1063/1.451091
. [all data]
De Vreugd, Wijnaendts van Resandt, et al., 1979
De Vreugd, C.; Wijnaendts van Resandt, R.W.; Los, J.; Smith, B.,
Differential Cross Sections for Collisions of Negative Halogen Ions and Alkali Atoms,
Chem. Phys., 1979, 42, 3, 305, https://doi.org/10.1016/0301-0104(79)80078-6
. [all data]
Potts and Price, 1977
Potts, A.W.; Price, W.C.,
Photoelectron studies of ionic materials using molecular beam techniques,
Phys. Scr., 1977, 16, 191. [all data]
Potts, Williams, et al., 1974
Potts, A.W.; Williams, T.A.; Price, W.C.,
Photoelectron spectra and electronic structure of diatomic alkali halides,
Proc. Roy. Soc. London A, 1974, 341, 147. [all data]
Goodman, Allen, et al., 1974
Goodman, T.D.; Allen, J.D., Jr.; Cusachs, L.C.; Schweitzer, G.K.,
The photoelectron spectra of gaseous alkali halides,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 289. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity IE (evaluated) Recommended ionization 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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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