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2-Dodecanone

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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
Deltafgas-96.62 ± 0.59kcal/molCcrSellers, 1977 

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
Deltafliquid-113.79 ± 0.57kcal/molCcrSellers, 1977 
Quantity Value Units Method Reference Comment
Deltacliquid-1834.60 ± 0.41kcal/molCcrSellers, 1977Corresponding «DELTA»fliquid = -113.80 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
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
Tboil519.65KN/AClement and Selwitz, 1964Uncertainty assigned by TRC = 2. K; TRC
Tboil518.15KN/ABirch and Robinson, 1942Uncertainty assigned by TRC = 2. K; TRC
Tboil519.65KN/AKrafft, 1882Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Tc702.1KN/APulliam, Gude, et al., 1995Uncertainty assigned by TRC = 2.7 K; TRC
Quantity Value Units Method Reference Comment
rhoc1.33mol/lN/APulliam, Gude, et al., 1995Uncertainty assigned by TRC = 0.04 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap17.17kcal/molN/AMajer and Svoboda, 1985 
Deltavap17.17 ± 0.15kcal/molCSellers, 1977ALS
Deltavap17.2 ± 0.1kcal/molCSellers, 1977AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
14.6365.AStephenson and Malanowski, 1987Based on data from 350. - 520. K. See also Stull, 1947.; AC
14.5401.AStephenson and Malanowski, 1987Based on data from 386. - 609. K. See also Ambrose, Ellender, et al., 1975.; AC
11.5524.N/AAmbrose, Ellender, et al., 1975Based on data from 386. - 609. K.; AC

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:


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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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

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)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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 Japan AIST/NIMC Database- Spectrum MS-NW-9346
NIST MS number 236811

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.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes

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

Sellers, 1977
Sellers, P., Enthalpies of combustion and formation of 2-nonanone and 2-dodecanone, J. Chem. Thermodyn., 1977, 9, 139-142. [all data]

Clement and Selwitz, 1964
Clement, W.H.; Selwitz, C.M., Improved procedures for converting higher alpha-olefins to methyl ketones with palladium chloride, J. Org. Chem., 1964, 29, 241. [all data]

Birch and Robinson, 1942
Birch, A.J.; Robinson, R., Long-chain acids containing a quaternary carbon atom: I, J. Chem. Soc., 1942, 1942, 488. [all data]

Krafft, 1882
Krafft, F., On Nineteen Higher Normal Paraffins and a Simple Volume Law for Liquids that form Drops I., Ber. Dtsch. Chem. Ges., 1882, 15, 1687-711. [all data]

Pulliam, Gude, et al., 1995
Pulliam, M.K.; Gude, M.T.; Teja, A.S., Critical Temperatures and Densities of n-Alkanones, J. Chem. Eng. Data, 1995, 40, 455-8. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Ambrose, Ellender, et al., 1975
Ambrose, D.; Ellender, J.H.; Lees, E.B.; Sprake, C.H.S.; Townsend, R., Thermodynamic properties of organic oxygen compounds XXXVIII. Vapour pressures of some aliphatic ketones, The Journal of Chemical Thermodynamics, 1975, 7, 5, 453-472, https://doi.org/10.1016/0021-9614(75)90275-X . [all data]


Notes

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