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2-Hexene, (E)-

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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: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-51.0 ± 0.8kJ/molChydRogers, Crooks, et al., 1987Value computed using «DELTA»fHliquid° from Rogers, Crooks, et al., 1987 and «DELTA»vapH° value of 31.6 kJ/mol from Steele and Chirico, 1993.
Deltafgas-52.1 ± 1.0kJ/molChydRogers and Crooks, 1983Value computed using «DELTA»fHliquid° from Rogers and Crooks, 1983 and «DELTA»vapH° value of 31.6 kJ/mol from Steele and Chirico, 1993.
Deltafgas-52.5kJ/molN/AWiberg and Wasserman, 1981Value computed using «DELTA»fHliquid° value of -83.22±0.84 kj/mol from Wiberg and Wasserman, 1981 and «DELTA»vapH° value of 30.7 kj/mol from alkenes correlation.
Deltafgas-51.6 ± 0.8kJ/molEqkWiberg and Wasserman, 1981Value computed using «DELTA»fHliquid° from Wiberg and Wasserman, 1981 and «DELTA»vapH° value of 31.6 kJ/mol from Steele and Chirico, 1993.
Deltafgas-55.8 ± 1.3kJ/molChydRogers, Papadimetriou, et al., 1975Value computed using «DELTA»fHliquid° from Rogers, Papadimetriou, et al., 1975 and «DELTA»vapH° value of 31.6 kJ/mol from Steele and Chirico, 1993.

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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-82.6 ± 0.8kJ/molChydRogers, Crooks, et al., 1987DRB
Deltafliquid-83.7 ± 1.0kJ/molChydRogers and Crooks, 1983DRB
Deltafliquid-83.22 ± 0.84kJ/molEqkWiberg and Wasserman, 1981ALS
Deltafliquid-87.4 ± 1.3kJ/molChydRogers, Papadimetriou, et al., 1975DRB

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil341. ± 1.KAVGN/AAverage of 13 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus139.9 ± 0.4KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Deltavap32.2kJ/molAStephenson and Malanowski, 1987Based on data from 283. - 342. K.; AC
Deltavap31.6kJ/molN/AReid, 1972AC
Deltavap31.5kJ/molVCamin and Rossini, 1956ALS
Deltavap31.5kJ/molN/ACamin and Rossini, 1956, 2Based on data from 292. - 341. K.; 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

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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

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 + 2-Hexene, (E)- = n-Hexane

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-116.1 ± 0.45kJ/molChydRogers, Crooks, et al., 1987liquid phase
Deltar-481.2 ± 3.5kJ/molChydRogers and Crooks, 1983liquid phase; solvent: Hexane
Deltar-111.3 ± 1.1kJ/molChydRogers, Papadimetriou, et al., 1975liquid phase; solvent: Hexane

1-Hexene = 2-Hexene, (E)-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-10.9 ± 0.2kJ/molEqkWiberg and Wasserman, 1981liquid phase; Trifluoroacetolysis
Deltar-13.1 ± 1.3kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc

2-Hexene, (E)- + Trifluoroacetic acid = Acetic acid, 2,2,2-trifluoro-, 1-methylpentyl ester

By formula: C6H12 + C2HF3O2 = C8H13F3O2

Quantity Value Units Method Reference Comment
Deltar-39.71 ± 0.13kJ/molEqkWiberg and Wasserman, 1981liquid phase; Trifluoroacetolysis

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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C6H12+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.97 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.93EILossing and Traeger, 1975LLK
8.966 ± 0.005PEMasclet, Grosjean, et al., 1973LLK
9.16 ± 0.01PEKrause, Taylor, et al., 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H9+10.33CH3EILossing and Traeger, 1975LLK

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 Japan AIST/NIMC Database- Spectrum MS-NW-3701
NIST MS number 231316

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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.

Rogers, Crooks, et al., 1987
Rogers, D.W.; Crooks, E.; Dejroongruang, K., Enthalpies of hydrogenation of the hexenes, J. Chem. Thermodyn., 1987, 19, 1209-1215. [all data]

Steele and Chirico, 1993
Steele, W.V.; Chirico, R.D., Thermodynamic properties of alkenes (mono-olefins larger than C4), J. Phys. Chem. Ref. Data, 1993, 22, 377-430. [all data]

Rogers and Crooks, 1983
Rogers, D.W.; Crooks, E.L., Enthalpies of hydrogenation of the isomers of n-hexene, J. Chem. Thermodyn., 1983, 15, 1087-1092. [all data]

Wiberg and Wasserman, 1981
Wiberg, K.B.; Wasserman, D.J., Enthalpies of hydration of alkenes. 1. The n-hexenes, J. Am. Chem. Soc., 1981, 103, 6563-6566. [all data]

Rogers, Papadimetriou, et al., 1975
Rogers, D.W.; Papadimetriou, P.M.; Siddiqui, N.A., An improved hydrogen microcalorimeter for use with large molecules, Mikrochim. Acta, 1975, 2, 389-400. [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]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Camin and Rossini, 1956
Camin, D.L.; Rossini, F.D., Physical properties of the 17 isomeric hexenes of the API research series, J. Phys. Chem., 1956, 60, 1446. [all data]

Camin and Rossini, 1956, 2
Camin, David L.; Rossini, Frederick D., Physical Properties of the 17 Isomeric Hexenes.of the API Research Series, J. Phys. Chem., 1956, 60, 10, 1446-1451, https://doi.org/10.1021/j150544a029 . [all data]

Bartolo and Rossini, 1960
Bartolo, H.F.; Rossini, F.D., Heats of isomerization of the seventeen isomeric hexenes, J. Phys. Chem., 1960, 64, 1685-1689. [all data]

Lossing and Traeger, 1975
Lossing, F.P.; Traeger, J.C., Stabilization in cyclopentadienyl, cyclopentenyl, and cyclopentyl cations, J. Am. Chem. Soc., 1975, 97, 1579. [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]

Krause, Taylor, et al., 1978
Krause, D.A.; Taylor, J.W.; Fenske, R.F., An analysis of the effects of alkyl substituents on the ionization potentials of n-alkenes, J. Am. Chem. Soc., 1978, 100, 718. [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