1,3,5-Hexatriene

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Phase change data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, 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

Quantity Value Units Method Reference Comment
Tboil353. ± 3.KAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus261.45KN/AWoods and Schwartzman, 1948Uncertainty assigned by TRC = 0.3 K; TRC

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:


Gas phase ion energetics data

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C6H8+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference
8.42 ± 0.05EIFranklin and Carroll, 1969
8.27 ± 0.05SPrice, 1946

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H2+16.46 ± 0.15C2H2+2H2EIFranklin and Carroll, 1969 
C4H3+16.54 ± 0.15C2H2+H2+H?EIFranklin and Carroll, 1969 
C4H4+12.82 ± 0.10C2H2+H2EIFranklin and Carroll, 1969 
C4H5+13.60 ± 0.10C2H2+HEIFranklin and Carroll, 1969 
C4H6+12.25 ± 0.30C2H2EIFranklin and Carroll, 1969 
C5H3+14.95 ± 0.15CH3+H2?EIFranklin and Carroll, 1969 
C5H5+12.25 ± 0.10CH3EIFranklin and Carroll, 1969 
C6H5+13.11 ± 0.10H2+HEIFranklin and Carroll, 1969 
C6H6+10.77 ± 0.10H2EIFranklin and Carroll, 1969 
C6H7+9.96 ± 0.15HEIFranklin and Carroll, 1969 

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

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

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.
NIST MS number 411

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, Gas phase ion energetics 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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30130.648.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.647.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH629.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C

References

Go To: Top, Phase change data, Gas phase ion energetics 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.

Woods and Schwartzman, 1948
Woods, G.F.; Schwartzman, L.H., 1,3,5-Hexatriene, J. Am. Chem. Soc., 1948, 70, 3394. [all data]

Franklin and Carroll, 1969
Franklin, J.L.; Carroll, S.R., Effect of molecular structure on ionic decomposition. II. An electron-impact study of 1,3-and 1,4-cyclohexadiene and 1,3,5-hexatriene, J. Am. Chem. Soc., 1969, 91, 6564. [all data]

Price, 1946
Price, W.C., The absorption spectra of hexatriene and divinyl acetylene in the vacuum ultraviolet, Proc. Roy. Soc. (London) Al, 1946, 85, 182. [all data]

Bredael, 1982
Bredael, P., Retention indices of hydrocarbons on SE-30, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610 . [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]


Notes

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