Pentaerythrityl tetrachloride

• Formula: C₅H₈Cl₄
• Molecular weight: 209.929
• IUPAC Standard InChI: InChI=1S/C5H8Cl4/c6-1-5(2-7,3-8)4-9/h1-4H2 Copy

  
• IUPAC Standard InChIKey: KPZGRMZPZLOPBS-UHFFFAOYSA-N Copy
• CAS Registry Number: 3228-99-7
• 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: 1,3-Dichloro-2,2-bis(chloromethyl) propane; Propane, 1,3-dichloro-2,2-bis(chloromethyl)-; Methane, tetrakis(chloromethyl)-; Pentaerythritol tetrachloride; Tetrakis(chloromethyl)methane; 2,2-Bis(chloromethyl)-1,3-dichloropropane
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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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Reduced pressure boiling point

Enthalpy of phase transition

Entropy of phase transition

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]

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
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition

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