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Tetryl

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Condensed phase thermochemistry data

Go To: Top, Phase change data, 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
Deltafsolid41. ± 4.6kJ/molCcbKrien, Licht, et al., 1973Author's hf298_condensed=7. kcal/mol; ALS
Deltafsolid30.7kJ/molCcbRinkenbach, 1930Author hf298_condensed[kcal/mol]=4.69; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-3500. ± 30.kJ/molAVGN/AAverage of 6 values; Individual data points

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
290.9298.Yin, Ziru, et al., 1991T = 290 to 345 K. Cp value reported at 298 K is 1.013 J/g*K.; DH
302.1298.Krien, Licht, et al., 1973T = 200 to 403 K. Equation only.; DH
260.7293.Taylor and Rinkenbach, 1924T = 90 to 370 K.; DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus402.6KN/AKrien, Licht, et al., 1973, 2Uncertainty assigned by TRC = 0.1 K; TRC
Tfus400.5KN/AHall, 1971Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Deltasub133.8 ± 1.6kJ/molMECundall, Frank Palmer, et al., 1978Based on data from 335. - 416. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
25.86402.6Domalski and Hearing, 1996AC
22.930402.6Krien, Licht, et al., 1973DH
25.857400.5Hall, 1971, 2DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
57.0402.6Krien, Licht, et al., 1973DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change 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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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 Japan AIST/NIMC Database- Spectrum MS-NW-2531
NIST MS number 231035

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, 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

View large format table.

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

View large format table.

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, Phase change 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]

Krien, Licht, et al., 1973, 2
Krien, G.; Licht, H.H.; Zierath, J., Thermochemistry study of an nitroamine, Thermochim. Acta, 1973, 6, 465-72. [all data]

Hall, 1971
Hall, P.G., Thermal decomposition and phase transition in solid nitramines, Trans. Faraday Soc., 1971, 67, 556-62. [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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Hall, 1971, 2
Hall, P.G., Thermal decomposition and phase transitions in solid nitramines, Trans. Faraday Soc., 1971, 67(3), 556-562. [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, Mass spectrum (electron ionization), Gas Chromatography, References