Nitrosyl bromide
- Formula: BrNO
- Molecular weight: 109.910
- IUPAC Standard InChI: InChI=1S/BrNO/c1-2-3
- IUPAC Standard InChIKey: BMNDJWSIKZECMH-UHFFFAOYSA-N
- CAS Registry Number: 13444-87-6
- 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 | 19.63 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1966 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 65.375 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1966 |
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 1200. | 1200. to 6000. |
|---|---|---|
| A | 9.565522 | 13.62270 |
| B | 6.034840 | 0.154024 |
| C | -3.184771 | -0.030164 |
| D | 0.576259 | 0.002036 |
| E | -0.020197 | -0.816506 |
| F | 16.46920 | 13.65140 |
| G | 75.17390 | 79.27371 |
| H | 19.63000 | 19.63000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1966 | Data last reviewed in December, 1966 |
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: José A. Martinho Simões
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Individual Reactions
(l) +
(cr) = C9H19BrMg (solution)
By formula: BrNO (l) + Mg (cr) = C9H19BrMg (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -55.2 ± 1.1 | kcal/mol | RSC | Holm, 1981 | solvent: Diethyl ether; Due to the possibility of side reactions, the enthalpy of reaction was not considered to be sufficiently reliable for deriving the enthalpy of formation of the Grignard reagent Holm, 1981 |
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 10.19 ± 0.05 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.20 ± 0.05 | PE | Alderdice and Dixon, 1977 | LLK |
| 10.17 ± 0.03 | PE | Frost, Lee, et al., 1975 | LLK |
References
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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]
Holm, 1981
Holm, T.,
J. Chem. Soc., Perkin Trans. II, 1981, 464.. [all data]
Alderdice and Dixon, 1977
Alderdice, D.S.; Dixon, R.N.,
Photoelectron spectra of nitrosyl halides,
J. Chem. Soc. Faraday Trans. 2, 1977, 73, 245. [all data]
Frost, Lee, et al., 1975
Frost, D.C.; Lee, S.T.; McDowell, C.A.; Westwood, N.P.C.,
Photoelectron spectroscopic studies of some nitrosyl and nitryl halides nitric acid,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 331. [all data]
Notes
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- Symbols used in this document:
IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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