1,3-Cyclopentadiene, 5,5-dimethyl-


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
Δfgas86.6kJ/molChydRoth, Adamczak, et al., 1991 

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

2Hydrogen + 1,3-Cyclopentadiene, 5,5-dimethyl- = Cyclopentane, 1,1-dimethyl-

By formula: 2H2 + C7H10 = C7H14

Quantity Value Units Method Reference Comment
Δr-225. ± 0.4kJ/molChydRoth, Klarner, et al., 1980liquid phase; solvent: Cyclohexane

5,5-Dimethylbicyclo[2.1.0]pent-2-ene = 1,3-Cyclopentadiene, 5,5-dimethyl-

By formula: C7H10 = C7H10

Quantity Value Units Method Reference Comment
Δr-179. ± 0.8kJ/molCisoRoth, Klarner, et al., 1980liquid phase; solvent: Heptane

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

View reactions leading to C7H10+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.2PEGuimon, Pfister-Guillouzo, et al., 1985LBLHLM
8.22 ± 0.05EIMeyer and Harrison, 1964RDSH
8.45PEGuimon, Pfister-Guillouzo, et al., 1985Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H7+10.75CH3EIHarrison, Haynes, et al., 1965RDSH

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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Mass 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 Chemical Concepts
NIST MS number 161866

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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.

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]

Roth, Klarner, et al., 1980
Roth, W.R.; Klarner, F.-G.; Lennartz, H.-W., Heats of hydrogenation. II. Heat of hydrogenation of bicyclo[2.1.0]pent-2-ene, an antiaromatic system, Chem. Ber., 1980, 113, 1806-1818. [all data]

Guimon, Pfister-Guillouzo, et al., 1985
Guimon, C.; Pfister-Guillouzo, G.; Dubac, J.; Laporterie, A.; Manuel, G.; Iloughmane, H., Electronic structure of Group 14 (η4-metallole)tricarbonyliron complexes, Organometallics, 1985, 4, 636. [all data]

Meyer and Harrison, 1964
Meyer, F.; Harrison, A.G., Ionization potentials of methyl-substituted benzenes and cyclopentadienes, Can. J. Chem., 1964, 42, 2256. [all data]

Harrison, Haynes, et al., 1965
Harrison, A.G.; Haynes, P.; McLean, S.; Meyer, F., The mass spectra of methyl-substituted cyclopentadienes, J. Am. Chem. Soc., 1965, 87, 5099. [all data]


Notes

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