2,4,6-Cycloheptatrien-1-one, 2-hydroxy-

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.


Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-37.2 ± 0.3kcal/molCcbHubbard, Katz, et al., 1952 
Δfgas-37.1kcal/molCcbCook, Gibb, et al., 1951 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Gas Chromatography, 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
9.86 ± 0.02EIHigasi, Nozoe, et al., 1957RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H6O+10.8COEIWilliams, Cooks, et al., 1968RDSH

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2003.Souza, Re-Poppi, et al., 201230. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 5. K/min; Tend: 240. C

References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hubbard, Katz, et al., 1952
Hubbard, W.N.; Katz, C.; Guthrie, G.B., Jr.; Waddington, G., The heat of combustion and resonance energy of tropolone, J. Am. Chem. Soc., 1952, 74, 4456-44. [all data]

Cook, Gibb, et al., 1951
Cook, J.W.; Gibb, A.R.; Raphael, R.A.; Somerville, A.R., Tropolones. Part I. The preparation and general characteristics of tropolone, J. Chem. Soc., 1951, 503-511. [all data]

Higasi, Nozoe, et al., 1957
Higasi, K.; Nozoe, T.; Omura, I., Ionization potentials of some organic molecules. IV. Troponoid compounds, Bull. Chem. Soc. Japan, 1957, 30, 408. [all data]

Williams, Cooks, et al., 1968
Williams, D.H.; Cooks, R.G.; Howe, I., Studies in mass spectrometry. XXXI. A comparison of reaction rates in common ions generated via fragmentation and direct ionization, J. Am. Chem. Soc., 1968, 90, 6759. [all data]

Souza, Re-Poppi, et al., 2012
Souza, J.B.G.; Re-Poppi, N.; Raposo, J.L.(Jr)., Characterization of pyroligneous acid used in agriculture by gas chromatography - mass spectrometry (in press), J. Braz. Chem. Soc., 2012, 00, 00, 1-8. [all data]


Notes

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