Cyanogen bromide
- Formula: CBrN
- Molecular weight: 105.921
- IUPAC Standard InChI: InChI=1S/CBrN/c2-1-3
- IUPAC Standard InChIKey: ATDGTVJJHBUTRL-UHFFFAOYSA-N
- CAS Registry Number: 506-68-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Bromine cyanide; Bromocyan; Bromocyanide; Bromocyanogen; Campilit; Cyanobromide; Cyanogen monobromide; BrCN; (CN)Br; Bromine cyanide (BrCN); Bromocyanide (BrCN); Bromure de cyanogen; Cyanogen bromide (BrCN); TL 822; Cyanogen bromide ((CN)Br); Rcra waste number U246; UN 1889; Bromine monocyanide; NSC 89684
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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.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 186.19 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1969 |
| ΔfH°gas | 185.6 ± 6.0 | kJ/mol | Cm | Lord and Woolf, 1954 | Reanalyzed by Cox and Pilcher, 1970, Original value = 181. kJ/mol; Heat of hydrolysis; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 248.35 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1969 |
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 1300. | 1300. to 6000. |
|---|---|---|
| A | 46.46248 | 60.31152 |
| B | 15.50076 | 2.211040 |
| C | -2.870656 | -0.200183 |
| D | -0.631956 | 0.013172 |
| E | -0.327555 | -4.574618 |
| F | 170.5700 | 158.1088 |
| G | 298.2485 | 307.9006 |
| H | 186.1880 | 186.1880 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1969 | Data last reviewed in June, 1969 |
Gas Chromatography
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 482. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
| Capillary | SPB-1 | 482. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
References
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, 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]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, 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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