Cyclopropane, 1,1,2-trimethyl-
- Formula: C6H12
- Molecular weight: 84.1595
- IUPAC Standard InChI: InChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3
- IUPAC Standard InChIKey: BXIIJPAVISPOGI-UHFFFAOYSA-N
- CAS Registry Number: 4127-45-1
- 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: 1,1,2-Trimethylcyclopropane
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Phase change 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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 326. ± 3. | K | AVG | N/A | Average of 10 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 134.9 ± 0.1 | K | AVG | N/A | Average of 8 values; Individual data points |
Gas phase ion energetics data
Go To: Top, Phase change 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:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to C6H12+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.90 ± 0.05 | EI | Holmes and Lossing, 1991 | LL |
| 8.90 | EI | Laderoute and Harrison, 1985 | LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C5H9+ | 9.86 | CH3 | EI | Laderoute and Harrison, 1985 | LBLHLM |
References
Go To: Top, Phase change 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.
Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P.,
Ionization energies of homologous organic compounds and correlation with molecular size,
Org. Mass Spectrom., 1991, 26, 537. [all data]
Laderoute and Harrison, 1985
Laderoute, K.R.; Harrison, A.G.,
Cyclopropane intermediates in the rearrangement and fragmentation of olefinic molecular ions,
Org. Mass Spectrom., 1985, 20, 624. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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