Cyclodecanone

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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-72.91 ± 0.46kcal/molCcbWolf, 1972 

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
Δfliquid-86.86 ± 0.43kcal/molCcbWolf, 1972 
Quantity Value Units Method Reference Comment
Δcliquid-1468.51 ± 0.41kcal/molCcbWolf, 1972Corresponding Δfliquid = -86.836 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-1473.8kcal/molCcbSkuratov, Kozina, et al., 1958Corresponding Δfliquid = -81.5 kcal/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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
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
Tboil509.2KN/AWolf, 1972, 2Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus296.0KN/AWolf, 1972, 2Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Δvap13.95 ± 0.15kcal/molVWolf, 1972ALS
Δvap14.0 ± 0.1kcal/molN/AWolf, 1972AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
379.70.016Aldrich Chemical Company Inc., 1990BS
379.0.016Farchan Laboratories, 1990BS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
13.2368.AStephenson and Malanowski, 1987Based on data from 353. - 423. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
5.81294.9Gonthier-Vassal and Szwarc, 1998AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C10H18O+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.19PESpanka and Rademacher, 1986Vertical value

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

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61762

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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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedOV-101220.1380.3Didaoui, Touabet, et al., 1997N2, Chromosorb G HP; Column length: 2. m
CapillarySE-30220.1369.7Didaoui, Touabet, et al., 199727. m/0.4 mm/1.13 μm, N2, Chromosorb G HP
CapillarySE-30200.1375.7Didaoui, Touabet, et al., 199727. m/0.4 mm/0.1 μm, N2, Chromosorb G HP
CapillaryApolane220.1378.5Didaoui, Touabet, et al., 199743. m/0.29 mm/0.28 μm, N2
PackedApolane220.1390.6Didaoui, Touabet, et al., 19972. m/0.29 mm/0.28 μm, N2, Chromosorb G HP

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1723.Wu and Liou, 1992H2, 50. C @ 10. min, 1.5 K/min, 200. C @ 80. min; Column length: 50. m; Column diameter: 0.32 mm

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax1726.Beck, Higbee, et al., 200860. m/0.32 mm/0.25 μm, Helium, 30. C @ 4. min, 2. K/min, 200. C @ 30. min
CapillaryDB-Wax1744.Beck, Higbee, et al., 200860. m/0.32 mm/0.25 μm, Helium, 30. C @ 4. min, 2. K/min, 200. C @ 30. min

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Wolf, 1972
Wolf, G., Thermochemische Untersuchungen an cyclischen Ketonen, Helv. Chim. Acta, 1972, 55, 1446-1459. [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]

Wolf, 1972, 2
Wolf, G., Thermochemical studies of cyclic ketones, Helv. Chim. Acta, 1972, 55, 1446. [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]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Gonthier-Vassal and Szwarc, 1998
Gonthier-Vassal, Anne; Szwarc, Henri, Thermodynamic properties of cycloketones: A DSC study, Thermochimica Acta, 1998, 320, 1-2, 141-154, https://doi.org/10.1016/S0040-6031(98)00409-2 . [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]

Didaoui, Touabet, et al., 1997
Didaoui, L.; Touabet, A.; Meklati, B.Y., Comparison of mathematical methods for the calculation of retention indices at high temperature in gas chromatography, J. Hi. Res. Chromatogr., 1997, 20, 11, 605-610, https://doi.org/10.1002/jhrc.1240201107 . [all data]

Wu and Liou, 1992
Wu, C.-M.; Liou, S.-E., Volatile components of water-boiled duck meat and Cantonese style roasted duck, J. Agric. Food Chem., 1992, 40, 5, 838-841, https://doi.org/10.1021/jf00017a026 . [all data]

Beck, Higbee, et al., 2008
Beck, J.J.; Higbee, B.S.; Marrill, G.B.; Roitman, J.N., Comparison of volatile emissions from undamaged and mechanically damaged almonds, J, Sci. Food Argic., 2008, 88, 8, 1363-1368, https://doi.org/10.1002/jsfa.3224 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References