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1,3-Pentadiyne

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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: Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
49.79100.Benestad L., 1975 
72.22200.
86.44273.15
90.79298.15
91.13300.
106.48400.
119.20500.
129.87600.

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

Quantity Value Units Method Reference Comment
Tboil328.7KN/AWeast and Grasselli, 1989BS
Tboil328.KN/APrevost, 1929Uncertainty assigned by TRC = 4. K; TRC

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

View reactions leading to C5H4+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.50 ± 0.02PEMaier, 1981LLK
9.4PIPECOForster, Maier, et al., 1981LLK
9.51PEDannacher, Heilbronner, et al., 1979LLK
9.51PEBrogli, Heilbronner, et al., 1973LLK
9.5 ± 0.1PEBieri, Burger, et al., 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H2+12.3C2H2PIDannacher, Heilbronner, et al., 1979LLK
C5H2+13.7H2EIDannacher, Heilbronner, et al., 1979LLK
C5H3+11.66 ± 0.02HPIKompe, Peel, et al., 1993LL
C5H3+11.6 ± 0.2HEIDannacher, Heilbronner, et al., 1979LLK

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.

Benestad L., 1975
Benestad L., Vibrational analysis of 1-halo-1,3-pentadiynes, CH3-CC-CC-X (X = Cl, Br and I). Coriolis coefficients of 1-chloro, 1-bromo, and of unsubstituted 1,3-pentadiyne, Spectrochim. Acta, 1975, A31, 1329-1341. [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]

Prevost, 1929
Prevost, C., Ann. Chim., 1929, 10, 113. [all data]

Maier, 1981
Maier, J.P., Structure and decay of gaseous organic radical cations studied by their radiative decay, exemplified by the 1,3-pentadiyne cation, Angew. Chem. Int. Ed. Engl., 1981, 20, 638. [all data]

Forster, Maier, et al., 1981
Forster, P.; Maier, J.P.; Thommen, F., Radiative and non-radiative decay rates of alkyl substituted diacetylene cations at selected energies within their 2A states determined via photoelectron-photoion coincidence measurements, Chem. Phys., 1981, 59, 85. [all data]

Dannacher, Heilbronner, et al., 1979
Dannacher, J.; Heilbronner, E.; Stadelmann, J.-P.; Vogt, J., 225. Fragmentation of energy selected butadiyne and 1,3-pentadiyne radical cations, Helv. Chim. Acta, 1979, 62, 2186. [all data]

Brogli, Heilbronner, et al., 1973
Brogli, F.; Heilbronner, E.; Hornung, V.; Kloster-Jensen, E., 230. Die photoelektronen-spektren methyl-substituierter Acetylene, Helv. Chim. Acta, 1973, 56, 2171. [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]

Kompe, Peel, et al., 1993
Kompe, B.; Peel, J.B.; Traeger, J.C., A theoretical and experimental study of the structures and stabilities of the [C5H3]+ cation, Org. Mass Spectrom., 1993, 28, 1253. [all data]


Notes

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