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Cyclopropene

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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:
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
Deltacgas-485.0 ± 0.6kcal/molCcbWiberg, Bartley, et al., 1962Corresponding «DELTA»fgas = 66.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
7.94950.Dorofeeva O.V., 1986Recommended S(T) and Cp(T) values are practically identical with those reported by [ Adame I.E., 1979, Yum T.Y., 1979]. Discrepancies with calculations [ Wiberg K.B., 1960, Joshi R.M., 1970, Kabo G.Y., 1973] amount to 1-2 J/mol*K.; GT
7.992100.
8.391150.
9.400200.
11.74273.15
12.64 ± 0.24298.15
12.71300.
16.24400.
19.24500.
21.67600.
23.66700.
25.330800.
26.757900.
27.9831000.
29.0461100.
29.9671200.
30.7671300.
31.4631400.
32.0701500.

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, References, Notes

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 194058

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References

Go To: Top, Gas phase thermochemistry 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.

Wiberg, Bartley, et al., 1962
Wiberg, K.B.; Bartley, W.J.; Lossing, F.P., On the strain energy in cyclopropene and the heat of formation of the C3H4+ ion, J. Am. Chem. Soc., 1962, 84, 3980-3981. [all data]

Dorofeeva O.V., 1986
Dorofeeva O.V., Thermodynamic properties of twenty-one monocyclic hydrocarbons, J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]

Adame I.E., 1979
Adame I.E., Thermodynamic properties of normal and deuterated cyclopropenes, Thermochim. Acta, 1979, 31, 203-209. [all data]

Yum T.Y., 1979
Yum T.Y., Jr., Infrared and Raman spectra of cyclopropene and of six deuterated derivatives, J. Phys. Chem., 1979, 83, 501-506. [all data]

Wiberg K.B., 1960
Wiberg K.B., Cyclopropene. V. Some reactions of cyclopropene, J. Am. Chem. Soc., 1960, 82, 6375-6380. [all data]

Joshi R.M., 1970
Joshi R.M., Thermodynamic properties of some monomeric compounds in the standard ideal gas state, J. Polym. Sci., Part A-2, 1970, 8, 679-687. [all data]

Kabo G.Y., 1973
Kabo G.Y., Thermodynamic properties of halogencyclanes and cyclopropene, Izv. Vyssh. Ucheb. Zaved., Khim. Khim. Tekhnol., 1973, 16, 230-233. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References