Pyrrolidine, 1-(1-cyclohexen-1-yl)-
- Formula: C10H17N
- Molecular weight: 151.2487
- IUPAC Standard InChIKey: KTZNVZJECQAMBV-UHFFFAOYSA-N
- CAS Registry Number: 1125-99-1
- 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: Cyclohexanone pyrrolidine enamine; N-(1-Cyclohexen-1-yl)pyrrolidine; N-(1-Cyclohexenyl)pyrrolidine; 1-(1-Cyclohexen-1-yl)pyrrolidine; 1-(1-Pyrrolidino)-1-cyclohexene; 1-(1-Pyrrolidinyl)cyclohexene; 1-Pyrrolidino-1-cyclohexene; 1-Pyrrolidinocyclohexene; 1-Pyrrolidinyl-1-cyclohexene; 1-(Cyclohexen-1-yl)pyrrolidine; N-Pyrrolidino-1-cyclohexene; 1-(1-Cyclohexenyl)pyrrolidine; NSC 29652; N-(cyclohex-1-en-1-yl)pyrrolidine
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Phase change data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference |
---|---|---|
387.7 | 0.020 | Aldrich Chemical Company Inc., 1990 |
Reaction 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+ = C16H21O2
By formula: C10H17N + C6H4N4O2 = C16H21O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -24. | kcal/mol | Cm | Samuilov, Movchan, et al., 1985 | solid phase; solvent: Toluene |
Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.14 ± 0.05 | PE | Domelsmith and Houk, 1977 | |
7.15 | PE | Muller, Previdoli, et al., 1981 | Vertical value |
7.10 ± 0.03 | PE | Colonna, Distefano, et al., 1975 | Vertical value |
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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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-NW-9437 |
NIST MS number | 236816 |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Samuilov, Movchan, et al., 1985
Samuilov, Ya.D.; Movchan, A.I.; Solov'eva, S.E.; Konovalov, A.I.,
Thermochemical and kinetic study of 1,3-dipolar cycloadditions involving aryl azides and nitrones,
Zh. Org. Khim., 1985, 21, 1772-1776. [all data]
Domelsmith and Houk, 1977
Domelsmith, L.N.; Houk, K.N.,
Photoelectron spectra of cyclopentanone and cyclohexanone enamines,
Tetrahedron Lett., 1977, 23, 1981. [all data]
Muller, Previdoli, et al., 1981
Muller, K.; Previdoli, F.; Desilvestro, H.,
246. Enamines. II. A theoretical and photoelectron spectroscopic study of the molecular and electronic structure of aliphatic enamines,
Helv. Chim. Acta, 1981, 64, 2497. [all data]
Colonna, Distefano, et al., 1975
Colonna, F.P.; Distefano, G.; Pignataro, S.; Pitacco, G.; Valentin, E.,
Ionization energies of some amines and enamines and an estimation of their relative basicity in gaseous phase,
J. Chem. Soc. Faraday Trans. 2, 1975, 71, 1572. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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