- Formula: C3H4
- Molecular weight: 40.0639
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: OOXWYYGXTJLWHA-UHFFFAOYSA-N
- CAS Registry Number: 2781-85-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry data
Go To: Top, Mass spectrum (electron ionization), References, Notes
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
|cH°gas||-485.0 ± 0.6||kcal/mol||Ccb||Wiberg, Bartley, et al., 1962||Corresponding «DELTA»fHºgas = 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|
|7.949||50.||Dorofeeva O.V., 1986||Recommended 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|
|12.64 ± 0.24||298.15|
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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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.
|NIST MS number||194058|
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), Notes
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]
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas cH°gas Enthalpy of combustion of gas at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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