1-Buten-3-yne, 2-methyl-

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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
Δfgas259.kJ/molCcbLebedeva, Ryadnenko, et al., 1977 

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
Δfliquid231. ± 0.8kJ/molCcbLebedeva, Ryadnenko, et al., 1977 
Quantity Value Units Method Reference Comment
Δcliquid-3056. ± 0.8kJ/molCcbLebedeva, Ryadnenko, et al., 1977Corresponding Δfliquid = 231. 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil305. to 305.6KN/AFarchan Laboratories, 1990BS
Tboil305.2KN/AWeast and Grasselli, 1989BS
Tboil305.4KN/APetrov, Kolesova, et al., 1957Uncertainty assigned by TRC = 1.5 K; TRC
Tboil307.KN/ACarothers and Coffman, 1932Uncertainty assigned by TRC = 5. K; TRC
Quantity Value Units Method Reference Comment
Δvap27. ± 1.kJ/molCLebedeva, Ryadnenko, et al., 1977ALS

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:


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

View reactions leading to C5H6+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.25 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.23 ± 0.01PECarlier, Mouvier, et al., 1979LLK
9.27 ± 0.02PEBieri, Burger, et al., 1977LLK
10.1EIPolyakova, Zimina, et al., 1959RDSH
9.30 ± 0.03PEVan Hoorn, 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H5+11.6HEIHarrison, Haynes, et al., 1965RDSH

References

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

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Lebedeva, Ryadnenko, et al., 1977
Lebedeva, N.D.; Ryadnenko, V.L.; Kiseleva, N.N.; Nazarova, L.F., Enthalpy of formation of isopropenylacetylene and diisopropenyldiacetylene, Vses. Konf. Kalorim. Rasshir. Tezisy Dokl. 7th, 1977, 1, 91-95. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Petrov, Kolesova, et al., 1957
Petrov, A.A.; Kolesova, V.A.; Porfir'eva, Y.I., Conjugated Systems. LXXVIII Raman Spectra and Reactivity of Vinylacetylenic Hydrocarbons, Zh. Obshch. Khim., 1957, 27, 2081-7. [all data]

Carothers and Coffman, 1932
Carothers, W.H.; Coffman, D.D., Homologs of Chloroprene and Their Polymers (Second Paper on New Synthetic Rubber), J. Am. Chem. Soc., 1932, 54, 4071-6. [all data]

Carlier, Mouvier, et al., 1979
Carlier, P.; Mouvier, G.; Mesnard, D.; Miginiac, L., Etude par spectrometrie de photoelectrons de la structure electronique des phenyl-alcynes conjugues, J. Electron Spectrosc. Relat. Phenom., 1979, 16, 147. [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]

Polyakova, Zimina, et al., 1959
Polyakova, A.A.; Zimina, K.I.; Petrov, A.A.; Klmel'nitskii, R.A., Mass Spectra and the structure of vinylacetylenes, Dokl. Phys. Chem., 1959, 127, 597, In original 386. [all data]

Van Hoorn, 1975
Van Hoorn, M.D., He(I) ionisation potentials and MO calculations of butenyne and the monomethyl-substituted butenynes, J. Electron Spectrosc. Relat. Phenom., 1975, 6, 65. [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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