2,2-Dinitropropane

• Formula: C₃H₆N₂O₄
• Molecular weight: 134.0907
• IUPAC Standard InChI: InChI=1S/C3H6N2O4/c1-3(2,4(6)7)5(8)9/h1-2H3 Copy

  
• IUPAC Standard InChIKey: DHPRWWYQIUXCQM-UHFFFAOYSA-N Copy
• CAS Registry Number: 595-49-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • UV/Visible spectrum
  • References
  • Notes
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  • Gas Phase Kinetics Database
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of solid

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Enthalpy of fusion

Entropy of fusion

Enthalpy of phase transition

Entropy of phase transition

UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, UV/Visible spectrum, Notes

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

Lebedeva and Ryadnenko, 1968
Lebedeva, N.D.; Ryadnenko, V.L., Heats of combustion and formation of polynitroalkanes, Russ. J. Phys. Chem. (Engl. Transl.), 1968, 42, 1225-1227. [all data]

Holcomb and Dorsey, 1949
Holcomb, D.E.; Dorsey, C.L., Jr., Thermodynamic properties of nitroparaffins, Ind. Eng. Chem., 1949, 41, 2788-2792. [all data]

Godlewska and Rachwalska, 1978
Godlewska, M.; Rachwalska, M., An adiabatic calorimetric study of the phase situation in 2,2-dinitropropane, Rap. - Inst. Fiz. Jad. (Krakow) 997/PS, 14p (1978). See also, Phys. Stat. Solid., 1978, A47, 661-665. [all data]

Billings and Nolle, 1958
Billings, J.J.; Nolle, A.W., Investigation by nuclear magnetic resonance of the effects of pressure on the thermal transition and rotator phase of 2,2-dinitropropane, J. Chem. Phys., 1958, 29, 214-220. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Rogers and Ortiz, 1972
Rogers, R.N.; Ortiz, L.W., Thermal characterization of the plastic crystalline phase, Thermochim. Acta, 1972, 3, 379. [all data]

Godlewska and Rachwalska, 1978, 2
Godlewska, M.; Rachwalska, M., An adiabatic calorimetric study of the phase situation in 2,2-dinitropropane, Phys. Status Solidi A, 1978, 47, 661-5. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [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]

Ungnabe and Kisinger, 1963
Ungnabe, H.E.; Kisinger, L.W., Tetrahedron, 1963, 19 (supplement), 121. [all data]

Notes

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• Symbols used in this document:
  

  Cp,solid	Constant pressure heat capacity of solid
  Tboil	Boiling point
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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