2-Pentene, (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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
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
Δfgas-7. ± 1.kcal/molAVGN/AAverage of 7 values; Individual data points

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
23.6298.15Thermodynamics Research Center, 1997p=1 bar. Recommended values were calculated from data for lower alkenes by a method of increments. These values are in good agreement with experimental data (see also [ Kilpatrick J.E., 1946]).; GT
23.7300.
30.66400.
37.19500.
42.88600.
47.61700.
51.74800.
55.31900.
58.391000.
61.021100.
63.341200.
65.321300.
67.071400.
68.5711500.

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

2-Pentene, (Z)- = 2-Pentene, (E)-

By formula: C5H10 = C5H10

Quantity Value Units Method Reference Comment
Δr-1.17 ± 0.02kcal/molEqkKapteijn, Steen, et al., 1983gas phase; Between 250-823 K
Δr-0.9 ± 0.15kcal/molEqkEgger and Benson, 1966gas phase; Heat of isomerization

Hydrogen + 2-Pentene, (Z)- = Pentane

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Δr-28.1 ± 0.2kcal/molChydEgger and Benson, 1966gas phase

Pentane, 2-chloro- = 2-Pentene, (Z)- + Hydrogen chloride

By formula: C5H11Cl = C5H10 + HCl

Quantity Value Units Method Reference Comment
Δr15.6kcal/molEqkKaraseva and Andreevskii, 1969gas phase

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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

View reactions leading to C5H10+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.01 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.94 ± 0.02PEAshmore and Burgess, 1978LLK
9.04 ± 0.02PEBieri, Burger, et al., 1977LLK
9.036 ± 0.005PEMasclet, Grosjean, et al., 1973LLK
9.23 ± 0.02EIGross and Wilkins, 1971LLK
9.11EICollin and Lossing, 1959RDSH
9.22 ± 0.01PEKrause, Taylor, et al., 1978Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6+11.54 ± 0.02C2H4EIGross and Wilkins, 1971LLK
C4H7+9.02CH3PITraeger, 1986LBLHLM
C4H7+10.62CH3PITraeger, 1986LBLHLM
C4H7+11.24 ± 0.02CH3EIGross and Wilkins, 1971LLK

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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Additional Data

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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-3263
NIST MS number 230823

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References

Go To: Top, Gas phase thermochemistry 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.

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]

Kilpatrick J.E., 1946
Kilpatrick J.E., Heats, equilibrium constants, and free energies of formation of the monoolefin hydrocarbons, J. Res. Nat. Bur. Stand, 1946, 36, 559-612. [all data]

Kapteijn, Steen, et al., 1983
Kapteijn, F.; Steen, A.J.; Mol, J.C., Thermodynamics of the geometrical isomerization of 2-butene and 2-pentene, J. Chem. Thermodyn., 1983, 15, 137-146. [all data]

Egger and Benson, 1966
Egger, K.W.; Benson, S.W., Nitric oxide and iodine catalyzed isomerization of olefins. VI. Thermodynamic data from equilibrium studies of the geometrical and positional isomerization of n-pentenes, J. Am. Chem. Soc., 1966, 88, 236-240. [all data]

Karaseva and Andreevskii, 1969
Karaseva, S.Ya.; Andreevskii, D.N., Equilibrium in the isomerisation of secondary monochloropentanes and the dehydrochlorination of 2-chloropentane, Russ. J. Phys. Chem. (Engl. Transl.), 1969, 43, 1236-1238. [all data]

Ashmore and Burgess, 1978
Ashmore, F.S.; Burgess, A.R., Photoelectron spectra of the unbranched C5-C7 alkenes, aldehydes and ketones, J. Chem. Soc. Faraday Trans. 2, 1978, 74, 734. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [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]

Gross and Wilkins, 1971
Gross, M.L.; Wilkins, C.L., Computer-assisted ion cyclotron resonance appearance potential measurements for C5H10 isomers, Anal. Chem., 1971, 43, 1624. [all data]

Collin and Lossing, 1959
Collin, J.; Lossing, F.P., Ionization potentials of some olefins, di-olefins and branched paraffins, J. Am. Chem. Soc., 1959, 81, 2064. [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]

Traeger, 1986
Traeger, J.C., Heat of formation for the 1-methylallyl cation by photoionization mass spectrometry, J. Phys. Chem., 1986, 90, 4114. [all data]


Notes

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