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-
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | 244. ± 1. | kJ/mol | Cm | Wiberg and Fenoglio, 1968 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°gas | -2675.1 ± 1.1 | kJ/mol | Cm | Wiberg and Fenoglio, 1968 | Corresponding ΔfHºgas = 243.6 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 |
|---|---|---|---|
| 74.68 | 298.15 | Yursha I.A., 1974 | Please also see Kabo G.Y., 1973.; GT |
| 74.85 | 300. | ||
| 93.43 | 400. | ||
| 110.58 | 500. | ||
| 125.31 | 600. | ||
| 137.82 | 700. | ||
| 148.49 | 800. | ||
| 157.53 | 900. | ||
| 165.73 | 1000. |
Gas Chromatography
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Squalane | 120. | 426.5 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
References
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, 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]
Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G.,
Use of retention increments for identification and correlation of saturated and unsaturated cyclopropane hydrocarbons by means of Kovats indices,
Anal. Chem., 1973, 45, 9, 1647-1658, https://doi.org/10.1021/ac60331a021
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, 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
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