Benzenamine, 2,4,6-tribromo-

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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
Δfgas38.00 ± 0.62kcal/molCcrAllot and Finch, 1987The mean of Heat of formations recomended by author

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid13.8 ± 0.57kcal/molCcrAllot and Finch, 1987The mean of Heat of formations recomended by author; ALS
Quantity Value Units Method Reference Comment
Δcsolid-714.29 ± 0.76kcal/molCcrAllot and Finch, 1987The mean of Heat of formations recomended by author; ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
43.36298.15Allot and Finch, 1987Cp given as 0.55 J/g*K.; DH

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
Tboil573.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus393.KN/ASnyder and Geller, 1952Uncertainty assigned by TRC = 3. K; TRC
Tfus394.85KN/AFew and Smith, 1949Uncertainty assigned by TRC = 0.25 K; TRC
Tfus395.KN/ARobertson, 1902Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Δsub23.1 ± 0.41kcal/molCRibeiro da Silva, Ferreira, et al., 2006AC
Δsub24.16 ± 0.26kcal/molCAllot and Finch, 1987The mean of Heat of formations recomended by author; ALS

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
6.154393.DSCRibeiro da Silva, Ferreira, et al., 2006AC

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

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Data compiled by: Coblentz Society, Inc.

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


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

View large format table.

Column type Active phase I Reference Comment
CapillaryTR-11642.Gruzdev, Alferova, et al., 201130. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryTR-11644.Gruzdev, Alferova, et al., 201130. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryTR-11646.Gruzdev, Alferova, et al., 201130. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryTR-11646.Gruzdev, Alferova, et al., 201130. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryTR-11646.Gruzdev, Alferova, et al., 201130. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryTR-11648.Gruzdev, Alferova, et al., 201130. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryTR-11651.Gruzdev, Alferova, et al., 201130. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryTR-11646.Gruzdev, Alferova, et al., 2011, 230. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryTR-11646.Gruzdev, Filippova, et al., 201130. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C
CapillaryUltra-11635.Okumura, 199125. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C

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.

Allot and Finch, 1987
Allot, P.H.; Finch, A., Enthalpies of formation of 2,4,6-tribromophenol and of 2,4,6-tribromoaniline, J. Chem. Thermodyn., 1987, 19, 771-779. [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]

Snyder and Geller, 1952
Snyder, H.R.; Geller, H.C., Cleavage of Sulfonamides with Aqueous Hydrobromic Acid and Phenol II., J. Am. Chem. Soc., 1952, 74, 4864. [all data]

Few and Smith, 1949
Few, A.V.; Smith, J.W., Molecular Polarization and Molecular Interaction. II. Apparent Dipole Moments of p-chloro-, 2,4,6-tribromo-, and 2,4,6-tribromo-N-dimethyl-aniline, n- and tert- butylamine in benzene and dioxane., J. Chem. Soc., 1949, 1949, 2663. [all data]

Robertson, 1902
Robertson, P.W., Atomic and molecular heats of fusion., J. Chem. Soc., 1902, 81, 1233. [all data]

Ribeiro da Silva, Ferreira, et al., 2006
Ribeiro da Silva, Manuel A.V.; Ferreira, Ana I.M.C.L.; Gomes, José R.B., Experimental and Computational Study on the Thermochemistry of Bromoanilines, Bull. Chem. Soc. Jpn., 2006, 79, 12, 1852-1859, https://doi.org/10.1246/bcsj.79.1852 . [all data]

Gruzdev, Alferova, et al., 2011
Gruzdev, I.V.; Alferova, M.V.; Kondratenok, B.M.; Zenkevich, I.G., Gas-chromatographic identification of chloro- and bromosubstituted anilines using retention indices, Rus. J. Anal. Chem., 2011, 66, 5, 519-524. [all data]

Gruzdev, Alferova, et al., 2011, 2
Gruzdev, I.V.; Alferova, M.V.; Kondratenok, B.M.; Zenkevich, I.G., Quantification of chloroanilines in drinking water by gas chromatography as bromo derivatives, Rus. J. Anal. Chem., 2011, 66, 10, 955-962, https://doi.org/10.1134/S1061934811100042 . [all data]

Gruzdev, Filippova, et al., 2011
Gruzdev, I.V.; Filippova, M.V.; Zenkevich, I.G.; Kondratenok, B.M., Identification of bromination products of chlorosubstituted anilines in aqueous media by using gas chromatography, Rus. J. Applied Chem., 2011, 84, 10, 1656-1667, https://doi.org/10.1134/S1070427211100132 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]


Notes

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