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Pentaerythritol Tetranitrate

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafsolid-538.5 ± 0.8kJ/molCcbOrnellas, Carpenter, et al., 1966Heat of combustion corrected for pressure
Quantity Value Units Method Reference Comment
Deltacsolid-2572.4 ± 0.8kJ/molCcbOrnellas, Carpenter, et al., 1966Heat of combustion corrected for pressure
Deltacsolid-2569.8 ± 2.5kJ/molCcbBurlot, 1939Reanalyzed by Cox and Pilcher, 1970, Original value = -2594.7 kJ/mol

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

Quantity Value Units Method Reference Comment
Deltasub150.4 ± 1.3kJ/molMECundall, Frank Palmer, et al., 1978Based on data from 328. - 405. K.; AC
Deltasub152. ± 2.kJ/molVEdwards, 1953ALS

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
156.9 ± 0.8369.TELau, Hildenbrand, et al., 2004Based on data from 356. - 382. K.; AC
151.9 ± 2.1370. - 411.N/AEdwards, 1953See also Jones, 1960 and Cox and Pilcher, 1970, 2.; AC

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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IR 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

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Owner COBLENTZ SOC.
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Source reference COBLENTZ NO. 05115
Date 1958/01/23
Name(s) PENTAERYTHRITOL TETRANITRATE
State SOLID (1.2 mg / 200 mg KBr DISC)
Instrument PERKIN-ELMER 21 (GRATING)
Instrument parameters FILTER AT ABOUT 10 MICRONS
Resolution 2
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY
Melting point 140 C

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin C. BRUNNEE, KRUPP, BREMEN, GERMANY
NIST MS number 14982

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-5140.1805.54Hobbs and Conde, 199230. m/0.25 mm/0.25 «mu»m
CapillaryDB-5140.1813.94Hobbs and Conde, 199230. m/0.25 mm/0.25 «mu»m

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone1791.Staples, 2005Column diameter: 0.25 mm; Program: not specified

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

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Column type Active phase I Reference Comment
CapillaryDB-51785.Staples, 2004He; Program: not specified
CapillaryDB-51791.Staples, 2004He; Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Ornellas, Carpenter, et al., 1966
Ornellas, D.L.; Carpenter, J.H.; Gunn, S.R., Detonation calorimeter and results obtained with pentaerythritol tetranitrate (PETN), Rev. Sci. Instrum., 1966, 37, 907-912. [all data]

Burlot, 1939
Burlot, E., Etude relative a la calorimetrie des explosifs, Mem. Poudres, 1939, 29, 226-260. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

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, 2
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/OdorsofExplosives.doc. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References