Cyclopropene
- Formula: C3H4
- Molecular weight: 40.0639
- 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
The 3d structure may be viewed using Java or Javascript. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, 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 | -2029. ± 3. | kJ/mol | Ccb | Wiberg, Bartley, et al., 1962 | Corresponding ΔfHºgas = 277. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.26 | 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 |
33.44 | 100. | ||
35.11 | 150. | ||
39.33 | 200. | ||
49.10 | 273.15 | ||
52.9 ± 1.0 | 298.15 | ||
53.16 | 300. | ||
67.96 | 400. | ||
80.50 | 500. | ||
90.66 | 600. | ||
98.99 | 700. | ||
105.98 | 800. | ||
111.95 | 900. | ||
117.08 | 1000. | ||
121.53 | 1100. | ||
125.38 | 1200. | ||
128.73 | 1300. | ||
131.64 | 1400. | ||
134.18 | 1500. |
References
Go To: Top, Gas phase thermochemistry data, 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, 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.