4-Piperidinone, 1-methyl-
- Formula: C6H11NO
- Molecular weight: 113.1576
- IUPAC Standard InChI: InChI=1S/C6H11NO/c1-7-4-2-6(8)3-5-7/h2-5H2,1H3
- IUPAC Standard InChIKey: HUUPVABNAQUEJW-UHFFFAOYSA-N
- CAS Registry Number: 1445-73-4
- 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: 4-Piperidone, 1-methyl-; N-Methyl-4-piperidinone; N-Methyl-4-piperidone; 1-Methyl-4-piperidinone; 1-Methyl-4-piperidione; 1-Methyl-4-piperidone; 1-Methylpiperidine-4-one; 1-Methylpiperidone-(4); 1-Methyl-4-oxopiperidine
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Phase change data
Go To: Top, Gas phase ion energetics 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 54.2 ± 1.0 | kJ/mol | C | Ribeiro da Silva and Cabral, 2006 | AC |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 330.2 | 0.015 | Weast and Grasselli, 1989 | BS |
Gas phase ion energetics data
Go To: Top, 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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C6H11NO+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.3 | PE | Sarneel, Worrell, et al., 1980 | LLK |
| 8.82 | PE | Spanka and Rademacher, 1986 | Vertical value; LBLHLM |
| 8.71 | PE | Sarneel, Worrell, et al., 1980 | Vertical value; LLK |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro da Silva and Cabral, 2006
Ribeiro da Silva, Manuel A.V.; Cabral, Joana I.T.A.,
Thermochemistry of Some Derivatives of 2- and 4-Piperidone,
J. Chem. Eng. Data, 2006, 51, 5, 1556-1561, https://doi.org/10.1021/je060046t
. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Sarneel, Worrell, et al., 1980
Sarneel, R.; Worrell, C.W.; Pasman, P.; Verhoeven, J.W.; Mes, G.F.,
The photoelectron spectra of 4-methylene thiacyclohexane derivatives through-bond interaction,
Tetrahedron, 1980, 36, 3241. [all data]
Spanka and Rademacher, 1986
Spanka, G.; Rademacher, P.,
Transannular interactions in difunctional medium rings. 1. n/π Interactions in cyclic amino ketones and aminoalkenes studied by photoelectron spectroscopy,
J. Org. Chem., 1986, 51, 592. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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