2H-Azepin-2-one, hexahydro-1-methyl-

• Formula: C₇H₁₃NO
• Molecular weight: 127.1842
• IUPAC Standard InChI: InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(8)9/h2-6H2,1H3 Copy

  
• IUPAC Standard InChIKey: ZWXPDGCFMMFNRW-UHFFFAOYSA-N Copy
• CAS Registry Number: 2556-73-2
• 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: N-Methyl-ε-caprolactam; N-Methylcaprolactam; 1-Methylcaprolactam; Hexahydro-1-methyl-2H-azepin-2-one; ε-Caprolactam, N-methyl-; 2H-Azepin-2-one, hexahydro-N-methyl-; N-Methyl-e-caprolactam; NSC 68794
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Enthalpy of vaporization

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 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

Ionization energy determinations

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

References

Go To: Top, Condensed phase thermochemistry data, Phase change 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.

Kozina and Skuratov, 1959
Kozina, M.P.; Skuratov, S.M., The enthalphy of polymerization of N-substituted lactames, Dokl. Akad. Nauk SSSR, 1959, 127, 561-563. [all data]

Skuratov, Kozina, et al., 1958
Skuratov, S.M.; Kozina, M.P.; Shtocher, S.M.; Prevalova, N.M.; Kamkina, L.S.; Zuko, V.D., Heats of combustion of cyclic compounds, Bull. Chem. Thermodyn., 1958, 1, 21. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Shcherbina, Kaporovskii, et al., 1984
Shcherbina, A.E.; Kaporovskii, L.M.; Shcherbina, E.A., Zh. Prikl. Khim. (Leningrad), 1984, 57, 1910. [all data]

Thorstad, Undheim, et al., 1975
Thorstad, O.; Undheim, K.; El-Gendy, M.A.F., Ionisation potentials in structure analysis of isomeric nitrones, oxaziranes, O-ether oximes acid amides, Org. Mass Spectrom., 1975, 10, 1155. [all data]

Treschanke and Rademacher, 1985
Treschanke, L.; Rademacher, P., Electronic structure and conformational properties of the amide linkage, J. Mol. Struct., 1985, 122, 47. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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