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

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Gas 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

Quantity Value Units Method Reference Comment
Δfgas-156. ± 1.kJ/molCcbHubbard, Katz, et al., 1952 
Δfgas-155.kJ/molCcbCook, Gibb, et al., 1951 

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

Quantity Value Units Method Reference Comment
Δfsolid-239.7 ± 2.6kJ/molCcbTanaka and Watase, 1956Reanalyzed by Cox and Pilcher, 1970, Original value = -240. kJ/mol
Δfsolid-239.5 ± 0.8kJ/molCcbHubbard, Katz, et al., 1952 
Δfsolid-239.kJ/molCcbCook, Gibb, et al., 1951 
Quantity Value Units Method Reference Comment
Δcsolid-3382. ± 2.kJ/molCcbJackson, Hung, et al., 1971Corresponding Δfsolid = -230. kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-3370.kJ/molCcbTanaka and Watase, 1956Corresponding Δfsolid = -240. kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-3372.6kJ/molCcbHubbard, Katz, et al., 1952Corresponding Δfsolid = -239.4 kJ/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-3373. ± 4.kJ/molCcbCook, Gibb, et al., 1951Corresponding Δfsolid = -239. kJ/mol (simple calculation by NIST; no Washburn corrections)

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub83.7 ± 0.8kJ/molVHubbard, Katz, et al., 1952ALS
Δsub83.7 ± 0.8kJ/molN/ACook, Gibb, et al., 1951, 2See also Cox and Pilcher, 1970, 2.; AC
Δsub83.7 ± 0.8kJ/molECook, Gibb, et al., 1951ALS

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
84.1 ± 0.4297.0 ± 0.5VJackson, Hung, et al., 1971ALS
84.1 ± 0.4273. to 333.MEJackson, Hung, et al., 1971AC

Gas Chromatography

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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

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

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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]

Tanaka and Watase, 1956
Tanaka, T.; Watase, T., Resonance energies of tropolone and hinokitiol, Tech. Rpt., Osaka Univ., 1956, 6, 367-371. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Jackson, Hung, et al., 1971
Jackson, W.; Hung, T.S.; Hopkins, H.P., Jr., Delocalization energies of troponoids from bomb calorimetric and vapour pressure measurements, J. Chem. Thermodyn., 1971, 3, 347-353. [all data]

Cook, Gibb, et al., 1951, 2
Cook, J.W.; Gibb, A.R.; Raphael, R.A.; Somerville, A.R., 107. Tropolones. Part I. The preparation and general characteristics of tropolone, J. Chem. Soc., 1951, 503, https://doi.org/10.1039/jr9510000503 . [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [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

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