Cyclopropene
- Formula: C3H4
- Molecular weight: 40.0639
- IUPAC Standard InChIKey: OOXWYYGXTJLWHA-UHFFFAOYSA-N
- CAS Registry Number: 2781-85-3
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Mass spectrum (electron ionization), References, Notes
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 |
---|---|---|---|---|---|
ΔcH°gas | -485.0 ± 0.6 | kcal/mol | Ccb | Wiberg, Bartley, et al., 1962 | Corresponding ΔfHºgas = 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 |
7.992 | 100. | ||
8.391 | 150. | ||
9.400 | 200. | ||
11.74 | 273.15 | ||
12.64 ± 0.24 | 298.15 | ||
12.71 | 300. | ||
16.24 | 400. | ||
19.24 | 500. | ||
21.67 | 600. | ||
23.66 | 700. | ||
25.330 | 800. | ||
26.757 | 900. | ||
27.983 | 1000. | ||
29.046 | 1100. | ||
29.967 | 1200. | ||
30.767 | 1300. | ||
31.463 | 1400. | ||
32.070 | 1500. |
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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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 |
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
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔcH°gas Enthalpy of combustion of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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