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Propane, 2-methyl-2-nitro-

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Gas 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
Deltafgas-177.1 ± 3.3kJ/molCcbKnobel, Miroshnichenko, et al., 1970Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -177. kJ/mol; Heat of Vaporization=9.6±0.1 kcal/mol

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-230. ± 3.kJ/molCcbKnobel, Miroshnichenko, et al., 1970Heat of Vaporization=9.6±0.1 kcal/mol
Quantity Value Units Method Reference Comment
Deltacsolid-2630. ± 3.kJ/molCcbKnobel, Miroshnichenko, et al., 1970Heat of Vaporization=9.6±0.1 kcal/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:
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

Quantity Value Units Method Reference Comment
Tboil400.4KN/AWeast and Grasselli, 1989BS
Tboil400. - 401.KN/AFrinton Laboratories Inc., 1986BS
Tboil400.65KN/AKornblum, Clutter, et al., 1956Uncertainty assigned by TRC = 0.15 K; TRC
Tboil400.31KN/AToops, 1956Uncertainty assigned by TRC = 0.06 K; TRC
Tboil399.KN/AKornblum, Smiley, et al., 1955Uncertainty assigned by TRC = 3. K; TRC
Quantity Value Units Method Reference Comment
Tfus298.65KN/AKornblum, Clutter, et al., 1956Uncertainty assigned by TRC = 1.5 K; TRC
Tfus299.38KN/AToops, 1956Uncertainty assigned by TRC = 0.06 K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
39.1349.EBStephenson and Malanowski, 1987Based on data from 334. - 401. K. See also Toops, 1956, 2 and Dykyj, 1971.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
2.6299.2Reuter, Büsing, et al., 1997AC

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:


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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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 NIST Mass Spectrometry Data Center, 1992
NIST MS number 125413

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.


References

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

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

Knobel, Miroshnichenko, et al., 1970
Knobel, Yu.K.; Miroshnichenko, E.A.; Lebedev, Yu.A., Heat of combustion of 2-methyl-2-nitropropane and dissociation of C - N bond in mononitro derovatoves of propane and butane, Dokl. Phys. Chem. (Engl. Transl.), 1970, 190, 45-47, In original 348. [all data]

Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P., Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [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]

Frinton Laboratories Inc., 1986
Frinton Laboratories Inc., Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]

Kornblum, Clutter, et al., 1956
Kornblum, N.; Clutter, R.J.; Jones, W.J., Synthesis of Tertiary Nitroparaffins, J. Am. Chem. Soc., 1956, 78, 4003. [all data]

Toops, 1956
Toops, E.E., Physical Properties of High Purity Nitroparaffins, J. Phys. Chem., 1956, 60, 304-6. [all data]

Kornblum, Smiley, et al., 1955
Kornblum, N.; Smiley, R.A.; Ungnade, H.E.; White, A.M.; Taub, B., The reaction of silver nitrite with secondary and tertiary alkyl halides, J. Am. Chem. Soc., 1955, 77, 5528-33. [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]

Toops, 1956, 2
Toops, Emory E., Physical Properties of Eight High-Purity Nitroparaffins, J. Phys. Chem., 1956, 60, 3, 304-306, https://doi.org/10.1021/j150537a012 . [all data]

Dykyj, 1971
Dykyj, J., Petrochemia, 1971, 11, 2, 27. [all data]

Reuter, Büsing, et al., 1997
Reuter, Jörg; Büsing, Dirk; Tamarit, Josep Ll.; Würflinger, Albert, High-pressure differential thermal analysis study of the phase behaviour in sometert-butyl compounds: pivalic acid, 2-methylpropane-2-thiol and tert-butylamine, J. Mater. Chem., 1997, 7, 1, 41, https://doi.org/10.1039/a604182e . [all data]


Notes

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