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Propane, 1,2-dibromo-2-methyl-

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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
Deltafgas-113.3 ± 1.0kJ/molCmSunner and Wulff, 1974Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -114.2 ± 1.1 kJ/mol

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-150.5kJ/molEqkRozhnov, Nesterova, et al., 1975Gas phase isomerization
Deltafliquid-156.6 ± 1.0kJ/molCmSunner and Wulff, 1974Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -157.6 ± 1.1 kJ/mol

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
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
Tboil423.2KN/AWeast and Grasselli, 1989BS
Tboil423.2KN/AMajer and Svoboda, 1985 
Tboil422.15KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tfus203.05KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Tfus202.85KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Deltavap43.37kJ/molN/AMajer and Svoboda, 1985 
Deltavap43.3 ± 0.1kJ/molCSunner and Wulff, 1974ALS

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
422.21.02Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
33.3259.AStephenson and Malanowski, 1987Based on data from 244. - 422. K. See also Stull, 1947.; AC
36.52423.2N/AMajer and Svoboda, 1985 

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
244.4 - 422.3.3111264.121-39.921Stull, 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

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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

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

Propane, 1,2-dibromo-2-methyl- = Propane, 1,3-dibromo-2-methyl-

By formula: C4H8Br2 = C4H8Br2

Quantity Value Units Method Reference Comment
Deltar-8.8 ± 0.3kJ/molEqkRozhnov, Nesterova, et al., 1975liquid phase; Gas phase isomerization

Propane, 1,2-dibromo-2-methyl- = Hydrogen bromide + 1-Bromo-2-methylpropene

By formula: C4H8Br2 = HBr + C4H7Br

Quantity Value Units Method Reference Comment
Deltar75.3kJ/molCmLevanova, Rozhnov, et al., 1975gas phase; Dehydrohalogenation

Propane, 1,2-dibromo-2-methyl- = 1-Propene, 2-methyl- + Bromine

By formula: C4H8Br2 = C4H8 + Br2

Quantity Value Units Method Reference Comment
Deltar139.7 ± 0.46kJ/molCmSunner and Wulff, 1974liquid phase

Mass spectrum (electron ionization)

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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: 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 RADIAN CORP
NIST MS number 73436

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Gas Chromatography

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

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-PONA865.Liu and Yang, 200350. m/0.20 mm/0.50 «mu»m, 35. C @ 8. min, 3.5 K/min, 230. C @ 10. min

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone893.Zenkevich and Marinichev, 2001Program: not specified

References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Sunner and Wulff, 1974
Sunner, S.; Wulff, C.A., The enthalpy of formation of 1,1-dibromo-2-methylpropane, J. Chem. Thermodyn., 1974, 6, 287-292. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]

Rozhnov, Nesterova, et al., 1975
Rozhnov, A.M.; Nesterova, T.N.; Mukovnina, G.S., Equilibrium in the isomerisation of dibromoalkanes. II. Isomerisation of dibromoisobutanes, Russ. J. Phys. Chem. (Engl. Transl.), 1975, 49, 1675-1676. [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]

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]

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

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]

Levanova, Rozhnov, et al., 1975
Levanova, S.V.; Rozhnov, A.M.; Plaksina, T.V.; Anisimova, Z.I., Dehydrohalogenation of some dihalo derivatives of isobutane, Russ. J. Phys. Chem. (Engl. Transl.), 1975, 49, 1440-1441. [all data]

Liu and Yang, 2003
Liu, Y.; Yang, H., Detailed alkene determination by bromination and gas chromatography with atomic emission detection. I. identification of the bromoalkenes/bromoalkanes in brominated gasoline, Se Pu - Chinese Journal of Chromatography, 2003, 21, 1, 1-8. [all data]

Zenkevich and Marinichev, 2001
Zenkevich, I.G.; Marinichev, A.N., Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian), Zh. Struct. Khim., 2001, 42, 5, 893-902. [all data]


Notes

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