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1,3,5-Hexatriene, (Z)-

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Gas phase thermochemistry data

Go To: Top, Phase change data, Reaction thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas172. ± 3.kJ/molChydFang and Rogers, 1992ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
41.2950.Thermodynamics Research Center, 1997GT
55.27100.
67.54150.
80.58200.
102.34273.15
110.17298.15
110.75300.
141.09400.
167.34500.
189.07600.
207.09700.
222.26800.
235.18900.
246.261000.
255.811100.
264.051200.
271.191300.
277.391400.
282.771500.

Phase change data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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 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
Tboil351.2KN/AWeast and Grasselli, 1989BS
Tboil356.KN/ASondheimer, Ben-Efraim, et al., 1961Uncertainty assigned by TRC = 3. K; TRC
Tboil356.KN/AHwa, De Benneville, et al., 1960Uncertainty assigned by TRC = 2. K; TRC
Tboil352.KN/AFarmer, Laroiz, et al., 1927Uncertainty assigned by TRC = 10. K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
33.3314.A,MMStephenson and Malanowski, 1987Based on data from 306. - 323. K. See also Letcher and Marsicano, 1974.; 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:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

3Hydrogen + 1,3,5-Hexatriene, (Z)- = n-Hexane

By formula: 3H2 + C6H8 = C6H14

Quantity Value Units Method Reference Comment
Deltar-339. ± 3.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane
Deltar-336.8 ± 1.4kJ/molChydTurner, Mallon, et al., 1973liquid phase; solvent: Glacial acetic acid

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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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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 D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 60714

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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.

Fang and Rogers, 1992
Fang, W.; Rogers, D.W., Enthalpy of hydrogenation of the hexadienes and cis- and trans-1,3,5-hexatriene, J. Org. Chem., 1992, 57, 2294-2297. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [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]

Sondheimer, Ben-Efraim, et al., 1961
Sondheimer, F.; Ben-Efraim, D.A.; Wolovsky, R., Unsaturated Macrocyclic Compounds XVII. The Prototropic Rearrangement of Linear 1,5-Enynes to COnjugated Polyenes. The Synthesis of A Series of Vinylogs of Butadiene, J. Am. Chem. Soc., 1961, 83, 1675-81. [all data]

Hwa, De Benneville, et al., 1960
Hwa, J.C.H.; De Benneville, P.L.; Sims, H.J., A New Preparation of 1,3,5-Hexatriene and the Separation of Its Geometrical Isomers, J. Am. Chem. Soc., 1960, 82, 2537-40. [all data]

Farmer, Laroiz, et al., 1927
Farmer, E.H.; Laroiz, B.D.; Switz, T.M.; Thorpe, J.F., Properties of Conjugated Compounds Part III. The Bearing of Hexatriene Chemistry on the Reactive Forms of Conjugated Hydrocarbons, J. Chem. Soc., 1927, 1927, 2937-58. [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]

Letcher and Marsicano, 1974
Letcher, T.M.; Marsicano, F., Vapour pressures and densities of some unsaturated C6 acyclic and cyclic hydrocarbons between 300 and 320 K, The Journal of Chemical Thermodynamics, 1974, 6, 5, 509-514, https://doi.org/10.1016/0021-9614(74)90013-5 . [all data]

Turner, Mallon, et al., 1973
Turner, R.B.; Mallon, B.J.; Tichy, M.; Doering, W.v.E.; Roth, W.R.; Schroder, G., Heats of hydrogenation. X. Conjugative interaction in cyclic dienes and trienes, J. Am. Chem. Soc., 1973, 95, 8605-8610. [all data]


Notes

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