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Butane, 1,2-dibromo-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-22.21kcal/molEqkRozhnov and Nesterova, 1973 
Deltafgas-24.43 ± 0.58kcal/molCcrBjellerup, 1961 

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.

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

Quantity Value Units Method Reference Comment
Deltafliquid-33.65kcal/molEqkRozhnov and Nesterova, 1973 
Deltafliquid-35.12 ± 0.50kcal/molCcrBjellerup, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -35.23 ± 0.52 kcal/mol
Quantity Value Units Method Reference Comment
Deltacliquid-614.26 ± 0.52kcal/molCcrBjellerup, 1961 

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
BS - Robert L. Brown and Stephen E. Stein
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
Tboil439.15KN/ACoffin and Maass, 1928Uncertainty assigned by TRC = 1.5 K; TRC
Tboil439.5KN/ATimmermans, 1927Uncertainty assigned by TRC = 0.5 K; source of data not clear; TRC
Tboil433.15KN/ACahours, 1850Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Tfus207.7KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Deltavap10.9 ± 0.2kcal/molEBPisarev, Rozhnov, et al., 1975AC
Deltavap11.0kcal/molN/APisarev, Rozhnov, et al., 1975, 2Based on data from 330. - 425. K. See also Pisarev, Rozhnov, et al., 1975.; AC
Deltavap11.44kcal/molVRozhnov and Nesterova, 1973ALS

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
332.70.026Aldrich Chemical Company Inc., 1990BS
333.0.026Farchan Laboratories, 1990BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
10.4353.AStephenson and Malanowski, 1987Based on data from 338. - 425. K.; AC
10.2296.AStephenson and Malanowski, 1987Based on data from 281. - 439. K. See also Stull, 1947.; AC
10.801300.VLister, 1941ALS
10.8300.N/ALister, 1941Based on data from 273. - 333. K.; AC

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
280.7 - 439.54.376151759.076-38.141Stull, 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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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: 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

1-Butene + Bromine = Butane, 1,2-dibromo-

By formula: C4H8 + Br2 = C4H8Br2

Quantity Value Units Method Reference Comment
Deltar-28.90kcal/molCmLister, 1941gas phase; Heat of bromination at 300 K
Deltar-29.44 ± 0.20kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.59 ± 0.20 kcal/mol; At 355 °K

Butane, 1,2-dibromo- = Butane, 1,3-dibromo-

By formula: C4H8Br2 = C4H8Br2

Quantity Value Units Method Reference Comment
Deltar-1.43 ± 0.06kcal/molEqkRozhnov, Nesterova, et al., 1972liquid phase

Butane, 1,2-dibromo- = Butane, 2,3-dibromo-

By formula: C4H8Br2 = C4H8Br2

Quantity Value Units Method Reference Comment
Deltar-1.99 ± 0.07kcal/molEqkNesterova, Rozhnov, et al., 1973liquid phase

Butane, 1,4-dibromo- = Butane, 1,2-dibromo-

By formula: C4H8Br2 = C4H8Br2

Quantity Value Units Method Reference Comment
Deltar-0.4 ± 0.1kcal/molEqkRozhnov, Nesterova, et al., 1972liquid phase

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-4359
NIST MS number 227722

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Notes

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]

Bjellerup, 1961
Bjellerup, L., On the accuracy of heat of combustion data obtained with a precision moving-bomb calorimetric method for organic bromine compounds, Acta Chem. Scand., 1961, 15, 121-140. [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]

Coffin and Maass, 1928
Coffin, C.C.; Maass, O., The Preparation and Physical Properties of «alpha»-,«beta»- and «gamma»-Butylene and Normal and Isobutane, J. Am. Chem. Soc., 1928, 50, 1427-37. [all data]

Timmermans, 1927
Timmermans, J., The Melting Point of Organic Substances, Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]

Cahours, 1850
Cahours, A., Researches on Pelargonic Acid, J. Chem. Soc., 1850, 3, 240. [all data]

Timmermans, 1921
Timmermans, J., The Freezing Points of Organic Substances IV. New Exp. Determinations, Bull. Soc. Chim. Belg., 1921, 30, 62. [all data]

Pisarev, Rozhnov, et al., 1975
Pisarev, V.V.; Rozhnov, A.M.; Varushchenko, R.M.; Sarkisov, A.G., Russ. J. Phys. Chem., 1975, 49, 1450. [all data]

Pisarev, Rozhnov, et al., 1975, 2
Pisarev, V.V.; Rozhnov, A.M.; Varushchenko, R.M.; Sarkisov, A.G., Russ. J. Phys. Chem., 1975, 49, 1605. [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]

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]

Lister, 1941
Lister, M.W., Heats of organic reactions. X. Heats of bromination of cyclic olefins, J. Am. Chem. Soc., 1941, 63, 143-149. [all data]

Conn, Kistiakowsky, et al., 1938
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VII. Addition of halogens to olefins, J. Am. Chem. Soc., 1938, 60, 2764-2771. [all data]

Rozhnov, Nesterova, et al., 1972
Rozhnov, A.M.; Nesterova, T.N.; Kovaleva, T.V., Isomerization of dibromobutanes. I. Isomerization of 1,2-, 1,3-, and 1,4-dibromobutanes., Zh. Org. Khim., 1972, 8, 1560-1564. [all data]

Nesterova, Rozhnov, et al., 1973
Nesterova, T.N.; Rozhnov, A.M.; Kovaleva, T.V., Isomerisation equilibrium of 1,2-, 1,3-, and 2,3-dibromobutanes, Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 755-756. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References