Piperazine, 1,4-dinitro-

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Gas phase thermochemistry data

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

Quantity Value Units Method Reference Comment
Δfgas13.9 ± 0.6kcal/molCcbPepekin, Matyushin, et al., 1974 

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
Δfsolid-12.7 ± 0.4kcal/molCcbPepekin, Matyushin, et al., 1974 
Quantity Value Units Method Reference Comment
Δcsolid-636.8 ± 0.4kcal/molCcbPepekin, Matyushin, et al., 1974 

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub26.6 ± 0.2kcal/molVPepekin, Matyushin, et al., 1974ALS

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Reference Comment
27. ± 2.343.Pepekin, Matyushin, et al., 1974Based on data from 325. to 360. K. See also Pedley and Rylance, 1977.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Method Reference Comment
47.99489.2N/AOxley, Smith, et al., 2001Enthalpy of fusion is abnormally high, compound may be decomposing; AC
8.109489.6DSCZeman, 1997AC

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 J.Yinon ET AL. Org. Mass Spectrom, 25, 14(1990)
NIST MS number 280949

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References

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

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

Pepekin, Matyushin, et al., 1974
Pepekin, V.I.; Matyushin, Yu.N.; Lebedev, Yu.A., Thermochemistry of N-nitro- and N-nitrosoamines of the alicyclic series, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1974, 1707-1710. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]

Oxley, Smith, et al., 2001
Oxley, J.C.; Smith, J.L.; Zhang, J.; Bedford, C., A Comparison of the Thermal Decomposition of Nitramines and Difluoramines, J. Phys. Chem. A, 2001, 105, 3, 579-590, https://doi.org/10.1021/jp002516a . [all data]

Zeman, 1997
Zeman, Svatopluk, Some predictions in the field of the physical thermal stability of nitramines, Thermochimica Acta, 1997, 302, 1-2, 11-16, https://doi.org/10.1016/S0040-6031(96)03101-2 . [all data]


Notes

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