3-Azabicyclo[3.2.2]nonane

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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
Δfgas-10.44 ± 0.19kcal/molCcrWong and Westrum, 1971see Westrum and Wong, 1967

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
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

Quantity Value Units Method Reference Comment
Ttriple467.12KN/AWulff and Westrum, 1964Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Δsub13.8kcal/molN/AWong and Westrum, 1971DRB
Δsub13.8 ± 0.31kcal/molCWestrum, Wong, et al., 1970AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
12.5318.AStephenson and Malanowski, 1987Based on data from 303. to 443. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.65466.6Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
11.68297.8Domalski and Hearing, 1996CAL
3.542466.6

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
1.653467.12crystaline, IliquidWulff and Westrum, 1964, 2DH
3.4610297.78crystaline, IIcrystaline, IBarber and Westrum, 1963DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
3.540467.12crystaline, IliquidWulff and Westrum, 1964, 2DH
11.62297.78crystaline, IIcrystaline, IBarber and Westrum, 1963DH

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)

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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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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-IW- 82
NIST MS number 239289

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References

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

Wong and Westrum, 1971
Wong, S.S.; Westrum, E.F., Jr., Enthalpies of formation of globular molecules. II. Three bicyclooctanes and two bicyclononanes, J. Am. Chem. Soc., 1971, 93, 5317-5321. [all data]

Westrum and Wong, 1967
Westrum, E.F., Jr.; Wong, S., Strain energies and thermal properties of globular and polynuclear aromatic molecules, AEC Rept. Coo-1149-92, Contract AT(11-1)-1149, 1967, 1-7. [all data]

Wulff and Westrum, 1964
Wulff, C.A.; Westrum, E.F., Heat capacities and thermodynamic properties of globular molecules. XI. Melting of 3-azabicyclo[3.2.2]nonane, J. Phys. Chem., 1964, 68, 430. [all data]

Westrum, Wong, et al., 1970
Westrum, E.F., Jr.; Wong, W-K.; Morawetz, E., Thermodynamics of globular molecules. XVIII. Heat capacities and transitional behavior of 1-azabicyclo[2.2.2]octane and 3-oxabicyclo[3.2.2]nonane. Sublimation behavior of five globular molecules, J. Phys. Chem., 1970, 74, 2542-2547. [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]

Wulff and Westrum, 1964, 2
Wulff, C.A.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. XI. Melting of 3-azabicyclo[3,2,2]nonane, J. Phys. Chem., 1964, 68, 430-431. [all data]

Barber and Westrum, 1963
Barber, C.M.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. V. 3-Azabicyclo-[3,3,2]nonane from 5 to 350 K, J. Phys. Chem., 1963, 67, 2373-2376. [all data]


Notes

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