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Octane, 1-bromo-

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Gas phase thermochemistry data

Go To: Top, 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

Quantity Value Units Method Reference Comment
Deltafgas-45.43 ± 0.55kcal/molCcrBjellerup, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -46.26 ± 0.65 kcal/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-58.61 ± 0.55kcal/molCcrBjellerup, 1961 
Quantity Value Units Method Reference Comment
Deltacliquid-1274.52 ± 0.54kcal/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:
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
Tboil474.KN/AFarchan Laboratories, 1990BS
Tboil474.0KN/AWeast and Grasselli, 1989BS
Tboil474.KN/AAmerican Tokyo Kasei, 1988BS
Tboil474.KN/AKazanskii, Liberman, et al., 1947Uncertainty assigned by TRC = 6. K; TRC
Tboil471.KN/AKamm and Marvel, 1920Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Tfus218.2KN/ACrowe and Smyth, 1950Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltavap13.33kcal/molN/AMajer and Svoboda, 1985 
Deltavap13.2kcal/molCGCChickos, Hosseini, et al., 1995Based on data from 323. - 363. K.; AC
Deltavap13.33 ± 0.060kcal/molCMansson, Sellers, et al., 1977ALS
Deltavap13.3 ± 0.02kcal/molCStridh, 1976See also Månsson, Sellers, et al., 1977.; AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
11.8388.A,ESTStephenson and Malanowski, 1987Based on data from 373. - 475. K. See also Li and Rossini, 1961 and Dykyj and Vanko, 1970.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
5.901218.2Crowe and Smyth, 1950, 2AC

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:


IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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, 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 Chemical Concepts
NIST MS number 187509

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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.

Bjellerup, 1961
Bjellerup, L., Heats of combustion and formation of the 1-bromoalkanes from C4 through C8, Acta Chem. Scand., 1961, 15, 231-241. [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]

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

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Kazanskii, Liberman, et al., 1947
Kazanskii, B.A.; Liberman, A.L.; Plate, A.F.; Rozengart, M.I.; Tarasova, G.A., Synthesis and Properties of Some 1-Alkenes, Zh. Obshch. Khim., 1947, 17, 1503. [all data]

Kamm and Marvel, 1920
Kamm, O.; Marvel, C.S., Organic Chemical Reagents V. The Prep. of Alkyl and Alkylene Bromides, J. Am. Chem. Soc., 1920, 42, 299. [all data]

Crowe and Smyth, 1950
Crowe, R.W.; Smyth, C.P., Thermal and Dielectric Evidence of Polymorphism in Some Long-Chain n-Alkyl Bromides, J. Am. Chem. Soc., 1950, 72, 3, 1098, https://doi.org/10.1021/ja01159a011 . [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]

Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G., Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times, Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3 . [all data]

Mansson, Sellers, et al., 1977
Mansson, M.; Sellers, P.; Stridh, G.; Sunner, S., Enthalpies of vaporization of some 1-substituted n-alkanes, J. Chem. Thermodyn., 1977, 9, 91. [all data]

Stridh, 1976
Stridh, G., Enthalpies of formation of 1-bromododecane and 1-bromohexadecane and the CH2-increment in the 1-bromoalkane series, J. Chem. Thermodyn., 1976, 8, 901-906. [all data]

Månsson, Sellers, et al., 1977
Månsson, M.; Sellers, P.; Stridh, G.; Sunner, S., Enthalpies of vaporization of some 1-substituted n-alkanes, The Journal of Chemical Thermodynamics, 1977, 9, 1, 91-97, https://doi.org/10.1016/0021-9614(77)90202-6 . [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]

Li and Rossini, 1961
Li, J.C.M.; Rossini, F.D., Vapor Pressures and Boiling Points of the l-Fluoroalkanes, l-Chloroalkanes, l-Bromoalkanes, and l-Iodoalkanes, C 1 to C 20 ., J. Chem. Eng. Data, 1961, 6, 2, 268-270, https://doi.org/10.1021/je60010a025 . [all data]

Dykyj and Vanko, 1970
Dykyj, J.; Vanko, A., Petrochemica, 1970, 10, 1, 3. [all data]

Crowe and Smyth, 1950, 2
Crowe, Robert W.; Smyth, Charles P., Thermal and Dielectric Evidence of Polymorphism in Some Long-Chain n-Alkyl Bromides 1, J. Am. Chem. Soc., 1950, 72, 3, 1098-1106, https://doi.org/10.1021/ja01159a011 . [all data]


Notes

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