Cyanogen bromide

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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
Δfgas44.500kcal/molReviewChase, 1998Data last reviewed in June, 1969
Δfgas44.4 ± 1.4kcal/molCmLord and Woolf, 1954Reanalyzed by Cox and Pilcher, 1970, Original value = 43.3 kcal/mol; Heat of hydrolysis; ALS
Quantity Value Units Method Reference Comment
gas,1 bar59.357cal/mol*KReviewChase, 1998Data 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 (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 1300.1300. to 6000.
A 11.1048014.41480
B 3.7047710.528451
C -0.686103-0.047845
D -0.1510410.003148
E -0.078288-1.093360
F 40.7672137.78891
G 71.2831073.59001
H 44.5000044.50000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1969 Data last reviewed in June, 1969

Phase change 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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub10.81kcal/molVLord and Woolf, 1954Heat of hydrolysis; ALS

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
273.01 to 313.093.53096727.385-130.052Lord and Woolf, 1954Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
10.8 ± 1.0273. to 308.MMLord and Woolf, 1954, 2See also Cox and Pilcher, 1970, 2.; AC
11.0288.N/ALord and Woolf, 1954, 2Based on data from 273. to 313. K. See also Boublik, Fried, et al., 1984.; AC
11.2256. to 308.GSBaxter, Bezzenberger, et al., 1920AC

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:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
Proton affinity (review)179.2kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity171.9kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
12. ± 1.EIIbuki, Hiraya, et al., 1996LL
11.88PELake and Thompson, 1970RDSH
11.85 ± 0.02PEHeilbronner, Hornung, et al., 1970RDSH
11.84 ± 0.01PIDibeler and Liston, 1967RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
Br+45. ± 2.C+(N+)PIPECOIbuki, Hiraya, et al., 1996LL
Br+16. ± 1.CNEIIbuki, Hiraya, et al., 1996LL
Br+15.52 ± 0.02CNPIDibeler and Liston, 1967RDSH
Br+11.9 ± 0.2CN-EIHerron and Dibeler, 1960RDSH
C+25. ± 1.Br+NEIIbuki, Hiraya, et al., 1996LL
CBr+21. ± 1.NEIIbuki, Hiraya, et al., 1996LL
CBr+17.4 ± 0.2NEIHerron and Dibeler, 1960RDSH
CN+19. ± 1.BrEIIbuki, Hiraya, et al., 1996LL
CN+14.6 ± 0.1Br-EIHerron and Dibeler, 1960RDSH
CN+18.3 ± 0.1BrEIHerron and Dibeler, 1960RDSH
N+28. ± 2.Br+CEIIbuki, Hiraya, et al., 1996LL

References

Go To: Top, Gas phase thermochemistry data, Phase change 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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Lord and Woolf, 1954, 2
Lord, G.; Woolf, A.A., The cyanogen halides. Part III. Their heats of formation and free energies, J. Chem. Soc., 1954, 2546, https://doi.org/10.1039/jr9540002546 . [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Baxter, Bezzenberger, et al., 1920
Baxter, G.P.; Bezzenberger, F.K.; Wilson, C.H., THE VAPOR PRESSURES OF CERTAIN SUBSTANCES: CHLORO-PICRIN, CYANOGEN BROMIDE, METHYL-DICHLORO-ARSINE, PHENYL-DICHLORO-ARSINE, DIPHENYL-CHLORO-ARSINE AND ARSENIC TRICHLORIDE. 1, J. Am. Chem. Soc., 1920, 42, 7, 1386-1393, https://doi.org/10.1021/ja01452a012 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Ibuki, Hiraya, et al., 1996
Ibuki, T.; Hiraya, A.; Olney, T.N.; Brion, C.E., Ionic photofragmentation (11.5-160 eV) and PIPICO spectroscopy (40-130 eV) of BrCN in the valence shell and bromine 3d regions, Chem. Phys., 1996, 203, 359. [all data]

Lake and Thompson, 1970
Lake, R.F.; Thompson, H., The photoelectron spectra of some molecules containing the C N group, Proc. Roy. Soc. (London), 1970, A317, 187. [all data]

Heilbronner, Hornung, et al., 1970
Heilbronner, E.; Hornung, V.; Muszkat, K.A., Die Photoelektron-Spektren von Chlor-, Brom- und Jodcyan, Helv. Chim. Acta, 1970, 53, 347. [all data]

Dibeler and Liston, 1967
Dibeler, V.H.; Liston, S.K., Mass-spectrometric study of photoionization. VIII.Dicyanogen and the cyanogen halides, J. Chem. Phys., 1967, 47, 4548. [all data]

Herron and Dibeler, 1960
Herron, J.T.; Dibeler, V.H., Electron impact study of the cyanogen halides, J. Am. Chem. Soc., 1960, 82, 1555. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References