Propane, 1,3-dibromo-2,2-bis(bromomethyl)-

• Formula: C₅H₈Br₄
• Molecular weight: 387.733
• IUPAC Standard InChI: InChI=1S/C5H8Br4/c6-1-5(2-7,3-8)4-9/h1-4H2 Copy

  
• IUPAC Standard InChIKey: OYSVBCSOQFXYHK-UHFFFAOYSA-N Copy
• CAS Registry Number: 3229-00-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Pentaerythritol tetrabromide; Pentaerythrityl bromide; Pentaerythrityl tetrabromide; Tetra(bromomethyl)methane; Tetrabromoneopentane; Tetrakis(bromomethyl)methane; 2,2-Bis(bromomethyl)-1,3-dibromopropane; 1,3-Dibromo-2,2-bis(bromomethyl)propane; NSC 8998
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

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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Additional Data

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.

Clever, Wong, et al., 1965
Clever, H.L.; Wong, W-K.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. XIII. Transition and fusion of pentaerythrityl chloride and bromide, transition of pentaerythrityl iodide, J. Phys. Chem., 1965, 69, 1209-1213. [all data]

Payne and Westrum, 1962
Payne, D.H.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. IV. Pentaerythrityl chloride, bromide, and iodide from 6 to 300°K, J. Phys. Chem., 1962, 66, 748-751. [all data]

Westrum, 1959
Westrum, E.F., Jr., Ordering transitions in symmetrical molecules, Symp. Thermodynam. Fritens-Wattens, Tirol Austria, 1959, No.36, 11p. [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]

Clever, Wong, et al., 1965, 2
Clever, H.L.; Wong, W.-K.; Westrum, E.F., Heat Capacities and Thermodynamic Properties of Globular Molecules. XIII. Transition and Fusion ofPentaerythritol Chloride and Bromide. Transition of Pentaerythritol Iodide, J. Phys. Chem., 1965, 69, 1209. [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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Notes

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• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  Tboil	Boiling point
  Ttriple	Triple point temperature
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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