3-Azabicyclo[3.2.2]nonane
- Formula: C8H15N
- Molecular weight: 125.2114
- IUPAC Standard InChIKey: LICHZOBEUWVYSY-UHFFFAOYSA-N
- CAS Registry Number: 283-24-9
- Chemical structure:
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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 |
---|---|---|---|---|---|
ΔfH°gas | -10.44 ± 0.19 | kcal/mol | Ccr | Wong and Westrum, 1971 | see Westrum and Wong, 1967 |
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | -24.29 ± 0.16 | kcal/mol | Ccr | Wong and Westrum, 1971 | see Westrum and Wong, 1967; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1240.51 ± 0.16 | kcal/mol | Ccr | Wong and Westrum, 1971 | see Westrum and Wong, 1967; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 58.731 | cal/mol*K | N/A | Barber and Westrum, 1963 | DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
56.84 | 350. | Wulff and Westrum, 1964 | T = 330 to 490 K.; DH |
57.130 | 310. | Barber and Westrum, 1963 | T = 5 to 350 K. Transition too close to 298.15 K to allow meaningful value of Cp.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 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 |
---|---|---|---|---|---|
Ttriple | 467.12 | K | N/A | Wulff and Westrum, 1964, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 13.8 | kcal/mol | N/A | Wong and Westrum, 1971 | DRB |
ΔsubH° | 13.8 ± 0.31 | kcal/mol | C | Westrum, Wong, et al., 1970 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
12.5 | 318. | A | Stephenson and Malanowski, 1987 | Based on data from 303. to 443. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.65 | 466.6 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.68 | 297.8 | Domalski and Hearing, 1996 | CAL |
3.542 | 466.6 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.653 | 467.12 | crystaline, I | liquid | Wulff and Westrum, 1964 | DH |
3.4610 | 297.78 | crystaline, II | crystaline, I | Barber and Westrum, 1963 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
3.540 | 467.12 | crystaline, I | liquid | Wulff and Westrum, 1964 | DH |
11.62 | 297.78 | crystaline, II | crystaline, I | Barber and Westrum, 1963 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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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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 |
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.
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]
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]
Wulff and Westrum, 1964
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]
Wulff and Westrum, 1964, 2
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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) 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°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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