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Dodecanenitrile

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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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil550.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus276.65KN/AKnight and Zook, 1952Uncertainty assigned by TRC = 2. K; TRC
Tfus277.05KN/AWhitmore, Schiessler, et al., 1946Uncertainty assigned by TRC = 0.3 K; TRC
Tfus277.17KN/ADorinson and Ralston, 1944Uncertainty assigned by TRC = 0.3 K; TRC
Tfus277.17KN/AHoerr, Binkerd, et al., 1944Uncertainty assigned by TRC = 0.3 K; TRC
Tfus277.15KN/AWhitmore, Sutherland, et al., 1942Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Deltavap76.12kJ/molN/AMajer and Svoboda, 1985 
Deltavap74.9 ± 0.2kJ/molGSEmel'yanenko, Verevkin, et al., 2005Based on data from 298. - 367. K.; AC
Deltavap76.1 ± 0.1kJ/molCStridh, Sunner, et al., 1977AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
471.20.133Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
60.7455.A,EBStephenson and Malanowski, 1987Based on data from 440. - 556. K. See also Meyer, Renner, et al., 1971 and Meyer and Hotz, 1973.; AC
65.2408.EBMeyer, Renner, et al., 1971Based on data from 393. - 462. 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
440.90 - 555.304.20619 ± 0.000591859.98 ± 0.46-106.456 ± 0.049Meyer and Hotz, 1973

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:


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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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-3162
NIST MS number 232039

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

Go To: Top, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

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

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Column type Active phase I Reference Comment
CapillaryDB-51490.Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

Lee's RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-5254.48Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

References

Go To: Top, Phase change 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.

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]

Knight and Zook, 1952
Knight, J.A.; Zook, H.D., Reduction of Aliphatic Nitriles by the Stephen Reaction., J. Am. Chem. Soc., 1952, 74, 4560. [all data]

Whitmore, Schiessler, et al., 1946
Whitmore, F.C.; Schiessler, R.W.; Rowland, C.S.; Cosby, J.N., Higher hydrocarbons. IV. Six Phenyleicosanes and six cyclohexyleicosanes. Cyclohexyleicosanes., J. Am. Chem. Soc., 1946, 69, 235. [all data]

Dorinson and Ralston, 1944
Dorinson, A.; Ralston, A.W., Refractive Indices of the Normal Saturated Aliphatic Nitriles. ammonia, J. Am. Chem. Soc., 1944, 66, 361. [all data]

Hoerr, Binkerd, et al., 1944
Hoerr, C.W.; Binkerd, E.F.; Pool, W.O.; Ralston, A.W., Solubilities of High-Molecular-Weight Normal Aliphatic Nitriles., J. Org. Chem., 1944, 9, 68-80. [all data]

Whitmore, Sutherland, et al., 1942
Whitmore, F.C.; Sutherland, L.H.; Cosby, J.N., Higher Hydrocarbons. I. Seven Alkyl Substituted Docosanes., J. Am. Chem. Soc., 1942, 64, 1360. [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]

Emel'yanenko, Verevkin, et al., 2005
Emel'yanenko, Vladimir N.; Verevkin, Sergey P.; Koutek, Bohumir; Doubsky, Jan, Vapour pressures and enthalpies of vapourization of a series of the linear aliphatic nitriles, The Journal of Chemical Thermodynamics, 2005, 37, 1, 73-81, https://doi.org/10.1016/j.jct.2004.08.004 . [all data]

Stridh, Sunner, et al., 1977
Stridh, G.; Sunner, S.; Svensson, C., Enthalpies of combustion, vaporization, and formation of some alkanenitriles, and the CH2-increment in the alkanenitrile series, J. Chem. Thermodyn., 1977, 9, 1005-1010. [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]

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]

Meyer, Renner, et al., 1971
Meyer, Edwin F.; Renner, Terrence A.; Stec, Kenneth S., Cohesive energies in polar organic liquids. II. n-Alkane nitriles and the 1-chloro alkanes, J. Phys. Chem., 1971, 75, 5, 642-648, https://doi.org/10.1021/j100675a008 . [all data]

Meyer and Hotz, 1973
Meyer, Edwin F.; Hotz, Roger D., High-precision vapor-pressure data for eight organic compounds, J. Chem. Eng. Data, 1973, 18, 4, 359-362, https://doi.org/10.1021/je60059a008 . [all data]

Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E., Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603 . [all data]


Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References