2-Hexene, (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: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-47.0 ± 1.1kJ/molChydRogers, Crooks, et al., 1987Value computed using ΔfHliquid° from Rogers, Crooks, et al., 1987 and ΔvapH° value of 32.2 kJ/mol from Steele and Chirico, 1993.
Δfgas-47.5 ± 1.1kJ/molChydRogers and Crooks, 1983Value computed using ΔfHliquid° from Rogers and Crooks, 1983 and ΔvapH° value of 32.2 kJ/mol from Steele and Chirico, 1993.
Δfgas-49.4kJ/molN/AWiberg and Wasserman, 1981Value computed using ΔfHliquid° value of -80.12±0.84 kj/mol from Wiberg and Wasserman, 1981 and ΔvapH° value of 30.7 kj/mol from alkenes correlation.
Δfgas-47.9 ± 1.0kJ/molEqkWiberg and Wasserman, 1981Value computed using ΔfHliquid° from Wiberg and Wasserman, 1981 and ΔvapH° value of 32.2 kJ/mol from Steele and Chirico, 1993.
Δfgas-53.3 ± 1.2kJ/molChydRogers, Papadimetriou, et al., 1975Value computed using ΔfHliquid° from Rogers, Papadimetriou, et al., 1975 and ΔvapH° value of 32.2 kJ/mol from Steele and Chirico, 1993.

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 ± 0.01eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.969 ± 0.005PEMasclet, Grosjean, et al., 1973LLK
9.15 ± 0.01PEKrause, Taylor, et al., 1978Vertical value; LLK

IR Spectrum

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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

Gas Phase Spectrum

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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 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
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


References

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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]

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

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