Butane, 1,4-dibromo-

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-85.98kJ/molEqkRozhnov and Nesterova, 1973 

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil470.2KN/AWeast and Grasselli, 1989BS
Tboil466.KN/AKolesnikov and Korshak, 1951Uncertainty assigned by TRC = 3. K; TRC
Tboil471.KN/AHenry, 1901Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Tfus252.1KN/ATimmermans, 1922Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Δvap53.09kJ/molN/AMajer and Svoboda, 1985 
Δvap52.6kJ/molGCCarson, Laye, et al., 1994AC
Δvap53.05kJ/molERozhnov and Nesterova, 1973ALS
Δvap53.09 ± 0.12kJ/molCWadso, 1968ALS

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
337.20.008Aldrich Chemical Company Inc., 1990BS
338.0.008Farchan Laboratories, 1990BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
51.4390.AStephenson and Malanowski, 1987Based on data from 375. to 520. K. See also Dykyj, 1971.; AC
49.4320.N/AStull, 1947Based on data from 305. to 470. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
305. to 470.74.610591989.924-39.057Stull, 1947Coefficents calculated by NIST from author's data.

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
10.15PIStaley, Wieting, et al., 1977 
10.27PEGounelle, Menard, et al., 1975Vertical value

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H8Br+10.15BrPIStaley, Wieting, et al., 1977 

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.

Rozhnov and Nesterova, 1973
Rozhnov, A.M.; Nesterova, T.N., Heats of formation of dibromo-n-butanes, Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 1390, In original 2455. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Kolesnikov and Korshak, 1951
Kolesnikov, G.S.; Korshak, V.V., High Molecular Weight Compounds XLII Transarylation Reaction of Diarylalkenes, Izv. Akad. Nauk SSSR, 1951, 1951, 761-70. [all data]

Henry, 1901
Henry, L., Adiponitrile, Rec. Trav. Chim. Pays-Bas, 1901, 21, 1. [all data]

Timmermans, 1922
Timmermans, J., Investigation of the Freezing Point of Organic Substances VII, Bull. Soc. Chim. Belg., 1922, 31, 389. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Carson, Laye, et al., 1994
Carson, A.S.; Laye, P.G.; Pedley, J.B.; Welsby, A.M.; Chickos, J.S.; Hosseini, S., The enthalpies of formation of iodoethane, 1,2-diiodoethane, 1,3-diiodopropane, and 1,4-diiodobutane, J. Chem. Thermodyn., 1994, 26, 1103-1109. [all data]

Wadso, 1968
Wadso, I., Heats of vaporization of organic compounds II. Chlorides, bromides, and iodides, Acta Chem. Scand., 1968, 22, 2438. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Dykyj, 1971
Dykyj, J., Petrochemia, 1971, 11, 2, 27. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Staley, Wieting, et al., 1977
Staley, R.H.; Wieting, R.D.; Beauchamp, J.L., Carbenium ion stabilities in the gas phase and solution. An ion cyclotron resonance study of bromide transfer reactions involving alkali ions, alkyl carbenium ions, acyl cations and cyclic halonium ions, J. Am. Chem. Soc., 1977, 99, 5964. [all data]

Gounelle, Menard, et al., 1975
Gounelle, Y.; Menard, C.; Pechine, J.M.; Solgadi, D.; Menes, F.; Botter, R., Conformational effects on ionization potentials; Photoelectron spectra of dibromo- and bromofluoro- alkyl compounds, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 247. [all data]


Notes

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