1-Methylcyclopropene
- Formula: C4H6
- Molecular weight: 54.0904
- IUPAC Standard InChI: InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3
- IUPAC Standard InChIKey: SHDPRTQPPWIEJG-UHFFFAOYSA-N
- CAS Registry Number: 3100-04-7
- 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. - Other names: Cyclopropene, 1-methyl-
- 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:
Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics 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 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 |
|---|---|---|---|---|---|
| ΔfH°gas | 58.2 ± 0.3 | kcal/mol | Cm | Wiberg and Fenoglio, 1968 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°gas | -639.36 ± 0.27 | kcal/mol | Cm | Wiberg and Fenoglio, 1968 | Corresponding ΔfHºgas = 58.21 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 |
|---|---|---|---|
| 17.85 | 298.15 | Yursha I.A., 1974 | Please also see Kabo G.Y., 1973.; GT |
| 17.89 | 300. | ||
| 22.33 | 400. | ||
| 26.429 | 500. | ||
| 29.950 | 600. | ||
| 32.940 | 700. | ||
| 35.490 | 800. | ||
| 37.651 | 900. | ||
| 39.610 | 1000. |
Gas phase ion energetics data
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 evaluated by: Edward P. Hunter and Sharon G. Lias
View reactions leading to C4H6+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 204.6 | kcal/mol | N/A | Hunter and Lias, 1998 | |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 197.6 | kcal/mol | N/A | Hunter and Lias, 1998 |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg and Fenoglio, 1968
Wiberg, K.B.; Fenoglio, R.A.,
Heats of formation of C4H6 hydrocarbons,
J. Am. Chem. Soc., 1968, 90, 3395-3397. [all data]
Yursha I.A., 1974
Yursha I.A.,
Equilibriums and thermodynamics of isomerization of methylcyclohexenes,
Neftekhimiya, 1974, 14, 688-693. [all data]
Kabo G.Y., 1973
Kabo G.Y.,
Thermodynamic properties of some hydrocarbons containing three-membered rings,
Vestn. Beloruss. Univ., Ser. 2, 1973, 3-6. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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 ΔfH°gas Enthalpy of formation 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.