3-Octanone

Formula: C₈H₁₆O
Molecular weight: 128.2120
IUPAC Standard InChI: InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
IUPAC Standard InChIKey: RHLVCLIPMVJYKS-UHFFFAOYSA-N
CAS Registry Number: 106-68-3
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-Octanone-3; Amyl ethyl ketone; Ethyl amyl ketone; Ethyl n-amyl ketone; Ethyl pentyl ketone; EAK; Octan-3-one; Ethyl n-pentyl ketone; 3-Oxooctane; NSC 60161; 3-octanonere
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Options:
- Switch to SI units

Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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.

Gas phase ion energetics data

Go To: Top, References, Notes

Data compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference
C₃H₅O⁺	12.0 ± 0.3	C₅H₁₁	EI	Yeo and Williams, 1969
C₄H₈O⁺	10.5 ± 0.3	?	EI	Yeo and Williams, 1969
C₄H₉O⁺	9.8 ± 0.3	?	EI	Yeo and Williams, 1969
C₅H₉O⁺	10.9 ± 0.3	?	EI	Yeo and Williams, 1969
C₅H₁₀O⁺	10.4 ± 0.3	C₃H₆	EI	Yeo and Williams, 1969
C₅H₁₁⁺	11.5 ± 0.3	?	EI	Yeo and Williams, 1969
C₆H₁₁O⁺	10.2 ± 0.3	C₂H₅	EI	Yeo and Williams, 1969

References

Go To: Top, Gas phase ion energetics data, Notes

Yeo and Williams, 1969
Yeo, A.N.H.; Williams, D.H., Internal hydrogen rearrangement as a function of ion lifetime in the mass spectra of aliphatic ketones, J. Am. Chem. Soc., 1969, 91, 3582. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

Symbols used in this document:

AE Appearance energy
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.