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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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° | 50.8 | kJ/mol | N/A | Wong and Westrum, 1971 | DRB |
ΔsubH° | 50.8 ± 0.2 | kJ/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 (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.86 | 430. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
26.53 | 196. | Domalski and Hearing, 1996 | CAL |
13.81 | 430. |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
5.226 | 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 |
5.860 | 430. | crystaline, I | liquid | Westrum, Wong, et al., 1970 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
26.52 | 196. | crystaline, II | crystaline, I | Westrum, Wong, et al., 1970 | Transition; DH |
13.6 | 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.