Quinuclidine
- Formula: C7H13N
- Molecular weight: 111.1848
- IUPAC Standard InChIKey: SBYHFKPVCBCYGV-UHFFFAOYSA-N
- CAS Registry Number: 100-76-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: 1-Azabicyclo[2.2.2]octane; 1,4-Ethylenepiperidine; 4-Azabicyclo[2.2.2]octane
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Phase change data
Go To: Top, 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
DRB - Donald R. Burgess, Jr.
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 430.0 | K | N/A | Westrum and Wong, 1970 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 12.1 | kcal/mol | N/A | Wong and Westrum, 1971 | DRB |
ΔsubH° | 12.1 ± 0.05 | kcal/mol | N/A | Brown and Sujishi, 1948 | Based on data from 273. to 362. K. See also Cox and Pilcher, 1970 and Jones, 1960.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.40 | 430. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.341 | 196. | Domalski and Hearing, 1996 | CAL |
3.301 | 430. |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.249 | 196. | crystaline, II | crystaline, I | Westrum, Wong, et al., 1970 | Transition region 190 to 200 K; maximum at 196 K. Entropy change obtained by difference of integrated heat input and lattice (extrapolated Cp) contribution.; DH |
1.401 | 430. | crystaline, I | liquid | Westrum, Wong, et al., 1970 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
6.338 | 196. | crystaline, II | crystaline, I | Westrum, Wong, et al., 1970 | Transition; DH |
3.25 | 430. | crystaline, I | liquid | Westrum, Wong, et al., 1970 | DH |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Westrum and Wong, 1970
Westrum, E.F.; Wong, W.-K.,
Thermodynamics of globular molecules. XVIII. Heat capacities and transitional behavior of 1-azabicyclo[2.2.2]octane and 3-oxabicyclo[3.2.2] nonane...................,
J. Phys. Chem., 1970, 74, 2542. [all data]
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]
Brown and Sujishi, 1948
Brown, Herbert C.; Sujishi, Sei,
Dissociation of the Addition Compound of Trimethylboron with Quinuclidine; Further Evidence for the Steric Configuration of Triethylamine 1,
J. Am. Chem. Soc., 1948, 70, 9, 2878-2881, https://doi.org/10.1021/ja01189a013
. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [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]
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]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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