2-Undecanone

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Phase change data

Go To: Top, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil502. ± 5.KAVGN/AAverage of 12 out of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus290.KN/AVilalta, Hammond, et al., 1993Uncertainty assigned by TRC = 0.2 K; TRC
Tfus285.3KN/ATimmermans, 1922Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Tc687.8KN/APulliam, Gude, et al., 1995Uncertainty assigned by TRC = 1.6 K; TRC
Quantity Value Units Method Reference Comment
ρc1.44mol/lN/APulliam, Gude, et al., 1995Uncertainty assigned by TRC = 0.04 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap67.kJ/molN/AMajer and Svoboda, 1985 
Δvap69.7 ± 0.5kJ/molGCCSaluja, Peacock, et al., 1979AC
Δvap67.0 ± 0.41kJ/molCSunner, Svensson, et al., 1979ALS
Δvap67.0 ± 0.4kJ/molCSunner, Svensson, et al., 1979AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
379.20.016Weast and Grasselli, 1989BS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
51.5476.AStephenson and Malanowski, 1987Based on data from 461. to 538. K.; AC
56.2408.AStephenson and Malanowski, 1987Based on data from 393. to 523. K. See also Ambrose, Ellender, et al., 1975.; AC
61.6350.A,EBStephenson and Malanowski, 1987Based on data from 335. to 433. K. See also Meyer and Wagner, 1966.; AC
46.4506.N/AAmbrose, Ellender, et al., 1975AC
61.9356.N/AStull, 1947Based on data from 341. to 497. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
341.3 to 497.5.59542558.952-39.342Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
28.78290.5Vilalta, Hammond, et al., 1993, 2AC

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:


Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference
1.6 MButtery, Ling, et al., 1969

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, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
9.29 ± 0.01PECocksey, Eland, et al., 1971

IR Spectrum

Go To: Top, Phase change data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible 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

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 Sadtler Research Labs Under US-EPA Contract
State gas

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


Mass spectrum (electron ionization)

Go To: Top, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, UV/Visible 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

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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- 699
NIST MS number 229461

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.


UV/Visible spectrum

Go To: Top, Phase change data, Henry's Law data, Gas phase ion energetics 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Nowakowska, White, et al., 1988
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 3612
Instrument HP 8451A Spectrophotometer
Melting point 15
Boiling point 231.5

References

Go To: Top, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Vilalta, Hammond, et al., 1993
Vilalta, P.M.; Hammond, G.S.; Weiss, R.G., Determination of the solubilization sites afforded by smectic phases of (perfluorodecyl)decane [F(CF2)10(CH2)10H] to some linear ketones undergoing the Norrish II photoreactions, Langmuir, 1993, 9, 7, 1910, https://doi.org/10.1021/la00031a046 . [all data]

Timmermans, 1922
Timmermans, J., Investigation of the Freezing Point of Organic Substances VII, Bull. Soc. Chim. Belg., 1922, 31, 389. [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]

Saluja, Peacock, et al., 1979
Saluja, P.P.S.; Peacock, L.A.; Fuchs, R., Enthalpies of interaction of aliphatic ketones with polar and nonpolar solvents, J. Am. Chem. Soc., 1979, 101, 1958-1962. [all data]

Sunner, Svensson, et al., 1979
Sunner, S.; Svensson, Ch.; Zelepuga, A.S., Enthalpies of vaporization at 298.15 K for some 2-alkanones and methyl alkanoates, J. Chem. Thermodyn., 1979, 11, 491-495. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]

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]

Meyer and Wagner, 1966
Meyer, Edwin F.; Wagner, Robert E., Cohesive Energies in Polar Organic Liquids, J. Phys. Chem., 1966, 70, 10, 3162-3168, https://doi.org/10.1021/j100882a025 . [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]

Vilalta, Hammond, et al., 1993, 2
Vilalta, Patricia M.; Hammond, George S.; Weiss, Richard G., Determination of the solubilization sites afforded by smectic phases of (perfluorodecyl)decane [F(CF2)10(CH2)10H] to some linear ketones undergoing the Norrish II photoreactions, Langmuir, 1993, 9, 7, 1910-1921, https://doi.org/10.1021/la00031a046 . [all data]

Buttery, Ling, et al., 1969
Buttery, R.G.; Ling, L.C.; Guadagni, D.G., Volatilities Aldehydes, Ketones, and Esters in Dilute Water Solution, J. Agric. Food Chem., 1969, 17, 385-389. [all data]

Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J., The effect of alkyl substitution on ionisation potential, J. Chem. Soc., 1971, (B), 790. [all data]

Nowakowska, White, et al., 1988
Nowakowska, M.; White, B.; Guillet, J.E., Studies of the antenna effect in polymer molecules. 11. Photochemical reactions of 2-undecanone solubilized in an aqueous solution of poly(sodium styrenesulfonate-co-2-vinylnaphthalene), Macromolecules, 1988, 21, 3430-3437. [all data]


Notes

Go To: Top, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References