Pentaerythritol Tetranitrate

• Formula: C₅H₈N₄O₁₂
• Molecular weight: 316.1366
• IUPAC Standard InChI: InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2 Copy

  
• IUPAC Standard InChIKey: TZRXHJWUDPFEEY-UHFFFAOYSA-N Copy
• CAS Registry Number: 78-11-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester); Angicap; Angitet; Antora; Arcotrate; Baritrate; Cardiacap; CHOT; Deltrate-20; Dilcoran-80; Dipentrate; Duotrate; Erinit; Extex; Hasethrol; Kaytrate; Lentrat; Lowetrate; Martrate-45; Metranil; Mycardol; Myotrate 10; Neo-Corovas; Neopentanetetrayl nitrate; Niperyt; Niperyth; Nitrinal; Nitro-Riletten; Nitropent; Nitropenta; Nitropenta 7W; Nitropentaerythrite; Nitropentaerythritol; Nitropenton; Nitrotalans; Pen-Tetra; Pencard; Pentaerythrityl tetranitrate; Pentafin; Pentanitrine; Pentanitrol; Pentestan-80; Pentetrate Unicelles; Penthrit; Penthrite; Pentitrate; Pentral 80; Pentrate; Pentrinat; Pentrite; Pentritol; Pentryate; Pergitral; Peridex; Peridex-LA; Peritrate; Perityl; Prevangor; PETN; Quintrate; Rythritol; Subicard; Tanipent; Tentrate-20; Tetranitropentaerythrite; Tetranitropentaerythritol; Tetrasule; Tranite D-Lay; TEN; Vaso-80 Unicelles; Vasodiatol; Vasolat; XTX 8003; 2,2-Bis(Hydroxymethyl)-1,3-propanediol tetranitrate; 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate; P.E.T.N.; Pentaerithrityl Tetranitrate; 2,2-Bis[(nitrooxy)methyl]-1,3-propanediol dinitrate (ester); Pentafilin; Pentritol tempules; Terpate; 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, 1,3-dinitrate; Tena; C 2; C 2 (explosive); Nitrine; Nitrolong
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
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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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Enthalpy of sublimation

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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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

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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, custom temperature program

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

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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.

Cundall, Frank Palmer, et al., 1978
Cundall, Robert B.; Frank Palmer, T.; Wood, Colin E.C., Vapour pressure measurements on some organic high explosives, J. Chem. Soc., Faraday Trans. 1, 1978, 74, 0, 1339, https://doi.org/10.1039/f19787401339 . [all data]

Edwards, 1953
Edwards, G., The vapour pressure of cyclo-trimethylenetrinitramine (cyclonite) and pentaerythritoltetranitrate, Trans. Faraday Soc., 1953, 49, 152. [all data]

Lau, Hildenbrand, et al., 2004
Lau, Kai H.; Hildenbrand, Donald L.; Crouch-Baker, Steven; Sanjurjo, Angel, Sublimation Pressure and Vapor Molecular Weight of Pentaerythritol Tetranitrate, J. Chem. Eng. Data, 2004, 49, 3, 544-546, https://doi.org/10.1021/je0302203 . [all data]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Hobbs and Conde, 1992
Hobbs, J.R.; Conde, E.P., Gas chromatographic retention indices of explosives and nitro-compounds in Advances in Analysis and Detection of Explosives: Proceedings of the 4th International Symposium on Analysis of Detection of Explosives, September 7-10, 1992, Jerusalem Israel, J. Yinon, ed(s)., Kluwer Academic Publishers, Netherlands, 1992, 153-164. [all data]

Staples, 2005
Staples, E.J., Ultrahigh-speed chromatography and virtual chemical sensors for detecting explosives and chemical warfare agents, IEEE Sens. J., 2005, 5, 4, 622-631, https://doi.org/10.1109/JSEN.2005.850990 . [all data]

Staples, 2004
Staples, E.J., Analysis of odors from explosives using an electronic nose, 2004, retrieved from http://www.estcal.com/TechPapers/Odors_of_Explosives.doc. [all data]

Notes

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• Symbols used in this document:
  

  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

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