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Dodecane, 1-chloro-

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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
Deltafgas-322.0 ± 2.5kJ/molCcrStridth and Sunner, 1975 

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-392.3 ± 2.4kJ/molCcrStridth and Sunner, 1975 
Quantity Value Units Method Reference Comment
Deltacliquid-7926.4 ± 2.4kJ/molCcrStridth and Sunner, 1975 

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
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
Tboil533.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Deltavap72. ± 4.kJ/molAVGN/AAverage of 7 values; Individual data points

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
399.60.013Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
62.4404.A,DTAStephenson and Malanowski, 1987Based on data from 389. - 519. K. See also Kemme and Kreps, 1969.; 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
389. - 518.74.094661754.079-107.518Kemme and Kreps, 1969

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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 NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291367

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, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedPEG-20M130.1661.Jaworski and Zolna, 1982Chromosorb W; Column length: 2.8 m

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedPEG-20M1664.Jaworski and Zolna, 1982Chromosorb W, 6. K/min; Column length: 2.8 m; Tstart: 110. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryPetrocol DH1461.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L130.1469.Arruda, Junkes, et al., 2008 

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-11446.Peters, de Leer, et al., 199425. m/0.2 mm/0.33 «mu»m, He, 50. C @ 5. min, 8. K/min, 300. C @ 10. min
CapillarySE-301432.Ibrahim and Suffet, 1988N2, 50. C @ 8. min, 5. K/min, 275. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedCarbowax 20M-TPA1684.Szymanowski, Kusz, et al., 1989Ar, Chromosorb W AW DMCS, 100. C @ 1. min, 5. K/min; Column length: 1.6 m; Tend: 220. C

Lee's RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-5MS246.6Aracil, Font, et al., 2005Column length: 60. m; Column diameter: 0.25 mm; Program: not specified

References

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

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

Stridth and Sunner, 1975
Stridth, G.; Sunner, S., Enthalpies of formation of some 1-chloroalkanes and the CH2-increment in the 1-chloroalkanes series, J. Chem. Thermodyn., 1975, 7, 161-168. [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]

Kemme and Kreps, 1969
Kemme, Herbert R.; Kreps, Saul I., Vapor pressure of primary n-alkyl chlorides and alcohols, J. Chem. Eng. Data, 1969, 14, 1, 98-102, https://doi.org/10.1021/je60040a011 . [all data]

Jaworski and Zolna, 1982
Jaworski, M.; Zolna, H., Oznaczanie alkanów, monochloroalkanów i polichloroalkanów metoda chromatografii gazowej, Chem. Anal. (Warsaw), 1982, 27, 97-105. [all data]

White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S., Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane, J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211 . [all data]

Arruda, Junkes, et al., 2008
Arruda, A.C.S.; Junkes, B. da.S.; Souza, E.S.; Yunes, R.A.; Heizen, V.E.F., Semi-Emlirical Topological Index to Predict Properties of Halogenated Aliphatic Compounds, J. Chemometrics, 2008, 22, 3-4, 186-194, https://doi.org/10.1002/cem.1121 . [all data]

Peters, de Leer, et al., 1994
Peters, R.J.D.; de Leer, E.W.B.; Versteegh, J.F.M., Identification of Halogenated Compounds Produced by Chlorination of Humic Acid in the Presence of Bromide, J. Chromatogr. A, 1994, 686, 2, 253-261, https://doi.org/10.1016/0021-9673(94)00719-5 . [all data]

Ibrahim and Suffet, 1988
Ibrahim, E.A.; Suffet, I.H., Freon FC-113, an Alternative to Methylene Chloride for Liquid-Liquid Extraction of Trace Organics from Chlorinated Drinking Water, J. Chromatogr., 1988, 454, 217-232, https://doi.org/10.1016/S0021-9673(00)88615-X . [all data]

Szymanowski, Kusz, et al., 1989
Szymanowski, J.; Kusz, P.; Dziwinski, E.; Szewczyk, H.; Pyzalski, K., Degradation and Analysis of Polyoxyethylene Monoalkyl Ethers in the Presence of Acetyl Chloride and Ferric Chloride, J. Chromatogr., 1989, 469, 197-208, https://doi.org/10.1016/S0021-9673(01)96455-6 . [all data]

Aracil, Font, et al., 2005
Aracil, I.; Font, R.; Conesa, J.A., Semivolatile and volatile compounds from the pyrolysis and combustion of polyvinyl chloride, J. Anal. Appl. Pyrolysis, 2005, 74, 1-2, 465-478, https://doi.org/10.1016/j.jaap.2004.09.008 . [all data]


Notes

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