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
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • IR Spectrum
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

IR Spectrum

Go To: Top, Gas Chromatography, References, Notes

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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

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

Gas Chromatography

Go To: Top, IR Spectrum, References, Notes

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

View large format table.

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

View large format table.

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

View large format table.

References

Go To: Top, IR Spectrum, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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, IR Spectrum, Gas Chromatography, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.