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
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • IR Spectrum
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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

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

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References

• 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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