Tetryl

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Condensed phase thermochemistry data

Go To: Top, Mass spectrum (electron ionization), 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfsolid9.8 ± 1.1kcal/molCcbKrien, Licht, et al., 1973Author's hf298_condensed=7. kcal/mol; ALS
Δfsolid7.34kcal/molCcbRinkenbach, 1930Author hf298_condensed[kcal/mol]=4.69; ALS
Quantity Value Units Method Reference Comment
Δcsolid-838. ± 8.kcal/molAVGN/AAverage of 6 values; Individual data points

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
69.53298.Yin, Ziru, et al., 1991T = 290 to 345 K. Cp value reported at 298 K is 1.013 J/g*K.; DH
72.20298.Krien, Licht, et al., 1973T = 200 to 403 K. Equation only.; DH
62.31293.Taylor and Rinkenbach, 1924T = 90 to 370 K.; DH

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

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 Japan AIST/NIMC Database- Spectrum MS-NW-2531
NIST MS number 231035

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Gas Chromatography

Go To: Top, Condensed phase thermochemistry data, 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, custom temperature program

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone2100.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-52100.Staples, 2004He; Program: not specified
CapillaryDB-52113.Staples, 2004He; Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, 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.

Krien, Licht, et al., 1973
Krien, G.; Licht, H.H.; Zierath, J., Thermochemical investigation of nitramines, Thermochim. Acta, 1973, 6, 465-472. [all data]

Rinkenbach, 1930
Rinkenbach, W.H., The heats of combustion and formation of aromatic nitro compounds, J. Am. Chem. Soc., 1930, 52, 115-120. [all data]

Yin, Ziru, et al., 1991
Yin, C.; Ziru, L.; Ganghe, W.; Chengyun, W., et al., Determination of heat capacity of explosives and related materials by DSC, Proc. Int. Pyrotech. Semin. 17th(Vol. 1), 1991, 515-521. [all data]

Taylor and Rinkenbach, 1924
Taylor, C.A.; Rinkenbach, W.H., The specific heats of trinitrotoluene, tetryl, picric acid and their molecular complexes, J. Am. Chem. Soc., 1924, 46, 1504-1510. [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, Mass spectrum (electron ionization), Gas Chromatography, References