Cyclododecanone

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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

Quantity Value Units Method Reference Comment
Δfsolid-105.8 ± 0.74kcal/molCcbRoux, Jimenez, et al., 1996crystal phase
Δfsolid-103.09 ± 0.52kcal/molCcbWolf, 1972Hfusion=4.004±0.120 kcal/mol
Quantity Value Units Method Reference Comment
Δcsolid-1777.3 ± 0.62kcal/molCcbRoux, Jimenez, et al., 1996crystal phase; Corresponding Δfsolid = -102.8 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcsolid-1777.02 ± 0.50kcal/molCcbWolf, 1972Hfusion=4.004±0.120 kcal/mol; Corresponding Δfsolid = -103.058 kcal/mol (simple calculation by NIST; no Washburn corrections)

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

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 Japan AIST/NIMC Database- Spectrum MS-NW-4529
NIST MS number 228999

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-1150.1492.8Rudenko and Rudenko, 2005He; Column diameter: 0.25 mm
CapillaryOV-1170.1505.6Rudenko and Rudenko, 2005He; Column diameter: 0.25 mm
CapillaryOV-1190.1528.9Rudenko and Rudenko, 2005He; Column diameter: 0.25 mm
CapillaryOV-1150.1492.8Rudenko and Rudenko, 2000He; Column diameter: 0.25 mm
CapillaryOV-1170.1505.6Rudenko and Rudenko, 2000He; Column diameter: 0.25 mm
CapillaryOV-1190.1528.9Rudenko and Rudenko, 2000He; Column diameter: 0.25 mm
PackedOV-101220.1570.4Didaoui, Touabet, et al., 1997N2, Chromosorb G HP; Column length: 2. m
CapillarySE-30220.1562.8Didaoui, Touabet, et al., 199727. m/0.4 mm/1.13 μm, N2, Chromosorb G HP
CapillarySE-30200.1574.1Didaoui, Touabet, et al., 199727. m/0.4 mm/0.1 μm, N2, Chromosorb G HP

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
PackedSE-301524.Ramsey, Lee, et al., 1980He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 40M150.1923.2Rudenko and Rudenko, 2005He; Column diameter: 0.25 mm
CapillaryCarbowax 40M170.1956.4Rudenko and Rudenko, 2005He; Column diameter: 0.25 mm
CapillaryCarbowax 40M190.1992.7Rudenko and Rudenko, 2005He; Column diameter: 0.25 mm
CapillaryCarbowax 40M150.1923.2Rudenko and Rudenko, 2000He; Column diameter: 0.25 mm
CapillaryCarbowax 40M170.1956.4Rudenko and Rudenko, 2000He; Column diameter: 0.25 mm
CapillaryCarbowax 40M190.1992.7Rudenko and Rudenko, 2000He; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
OtherMethyl Silicone1524.Ardrey and Moffat, 1981Program: not specified

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.

Roux, Jimenez, et al., 1996
Roux, M.V.; Jimenez, P.; Davalos, J.Z.; Abboud, J.-L.M.; Molina, M.T., Structural effects on the thermochemical properties of cycloalkanones I. Enthalpy of combustion, vapour pressures, and enthalpy of sublimation, and standard enthalpy of formation in the gaseous phas of cyclododecanone, J. Chem. Thermodyn., 1996, 28, 1029-1035. [all data]

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

Rudenko and Rudenko, 2005
Rudenko, B.A.; Rudenko, G.I., Gas chromatography with open tubular columns of cyclododecane derivatives, J. Anal. Chem. USSR (Engl. Transl.), 2005, 60, 4, 345-348. [all data]

Rudenko and Rudenko, 2000
Rudenko, B.A.; Rudenko, G.I., Capillary chromatography of cyclododecane derivatives, Proceedings, 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF. [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]

Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C., Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses, J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1 . [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References