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3-Hexene, 2,2,5,5-tetramethyl-, (Z)-

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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-127.kJ/molChydDoering, Roth, et al., 1989 

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
Deltacliquid-6629.8 ± 1.7kJ/molCcbRockenfeller and Rossini, 1961Derived from the ratio of Heat of combustion; Corresponding «DELTA»fliquid = -163.6 kJ/mol (simple calculation by NIST; no Washburn corrections)

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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director

Quantity Value Units Method Reference Comment
Tboil416.KN/ATurner, Nettleton, et al., 1958Uncertainty assigned by TRC = 1.5 K
Tboil416.KN/ABader, Buckley, et al., 1957Uncertainty assigned by TRC = 3. K
Tboil417.KN/ANewman, 1956Uncertainty assigned by TRC = 4. K

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, Condensed phase thermochemistry data, 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: 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

Hydrogen + 3-Hexene, 2,2,5,5-tetramethyl-, (Z)- = Hexane, 2,2,5,5-tetramethyl-

By formula: H2 + C10H20 = C10H22

Quantity Value Units Method Reference Comment
Deltar-158.kJ/molChydDoering, Roth, et al., 1989liquid phase
Deltar-151.kJ/molChydTurner, Nettleton, et al., 1958, 2liquid phase; solvent: Acetic acid

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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
8.695 ± 0.010PEMasclet, Grosjean, et al., 1973LLK
8.68 ± 0.02PIDemeo and El-Sayed, 1970RDSH
8.95PERobin, Taylor, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H9+11.12 ± 0.07?EINatalis and Franklin, 1966RDSH
C5H9+11.70 ± 0.03?EINatalis and Franklin, 1966RDSH
C5H10+9.15 ± 0.06?EINatalis and Franklin, 1966RDSH
C6H10+8.52 ± 0.03C4H10EINatalis and Franklin, 1966RDSH
C6H11+10.28 ± 0.04?EINatalis and Franklin, 1966RDSH
C6H12+8.88 ± 0.02C4H8EINatalis and Franklin, 1966RDSH
C7H13+9.59 ± 0.03C3H7EINatalis and Franklin, 1966RDSH
C9H17+10.53 ± 0.02CH3EINatalis and Franklin, 1966RDSH

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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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 3652

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References

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

Doering, Roth, et al., 1989
Doering, W.E.; Roth, W.R.; Bauer, F.; Breuckmann, R.; Ebbrecht, T.; Herbold, M.; Schmidt, R.; Lennartz, H-W.; Lenoir, D.; Boese, R., Rotational barriers of strained olefines, Chem. Ber., 1989, 122, 1263-1266. [all data]

Rockenfeller and Rossini, 1961
Rockenfeller, J.D.; Rossini, F.D., Heats of combustion, isomerization, and formation of selected C7, C8, and C10 monoolefin hydrocarbons, J. Phys. Chem., 1961, 65, 267-272. [all data]

Turner, Nettleton, et al., 1958
Turner, R.B.; Nettleton, D.E.; Perelman, M., Heats of Hydrogenation VI. Heats of Hydr. of SOm Substituted Ethylenes, J. Am. Chem. Soc., 1958, 80, 1430. [all data]

Bader, Buckley, et al., 1957
Bader, A.R.; Buckley, R.P.; Leavitt, F.; Szwarc, M., J. Am. Chem. Soc., 1957, 79, 5621. [all data]

Newman, 1956
Newman, M., Private Communication, Ohio State Univ., 1956. [all data]

Turner, Nettleton, et al., 1958, 2
Turner, R.B.; Nettleton, J.E.; Perelman, Heats of Hydrogenation. VI. Heats of hydrogenation of some substituted ethylenes, J. Am. Chem. Soc., 1958, 80, 1430-1433. [all data]

Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G., Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]

Demeo and El-Sayed, 1970
Demeo, D.A.; El-Sayed, M.A., Ionization potential and structure of olefins, J. Chem. Phys., 1970, 52, 2622. [all data]

Robin, Taylor, et al., 1973
Robin, M.B.; Taylor, G.N.; Kuebler, N.A.; Bach, R.D., Planarity of the carbon skeleton in various alkylated olefins, J. Org. Chem., 1973, 38, 1049. [all data]

Natalis and Franklin, 1966
Natalis, P.; Franklin, J.L., Etude du comportement d'isomeres geometriques sous l'impact electronique. VI. Les cis- et trans-1,2-di-terbutyl-ethylenes, Bull. Soc. Chim. Belges, 1966, 75, 328. [all data]


Notes

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