1,2,4-Pentatriene, 3-methyl-
- Formula: C6H8
- Molecular weight: 80.1277
- IUPAC Standard InChI: InChI=1S/C6H8/c1-4-6(3)5-2/h4H,1-2H2,3H3
- IUPAC Standard InChIKey: HWHWABOYRWRSPC-UHFFFAOYSA-N
- CAS Registry Number: 25054-29-9
- 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:
- Options:
Reaction 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
=
By formula: C6H8 = C6H8
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.0 ± 2.5 | kcal/mol | Kin | Hopf, Wachholz, et al., 1992 | gas phase; Heat of isomerization |
=
By formula: C6H8 = C6H8
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.9 ± 3.1 | kcal/mol | Kin | Hopf, Wachholz, et al., 1992 | gas phase; Heat of isomerization |
Gas phase ion energetics data
Go To: Top, Reaction 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C6H8+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.54 | PE | Delwiche, Praet, et al., 1979 | Vertical value; LLK |
References
Go To: Top, Reaction 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.
Hopf, Wachholz, et al., 1992
Hopf, H.; Wachholz, G.; Walsh, R.,
The kinetics of thermal isomerisation of 4-methyl-1,2,5-hexatriene in the gas phase,
Chem. Ber., 1992, 125, 711-721. [all data]
Delwiche, Praet, et al., 1979
Delwiche, J.; Praet, M.-Th.; Caprace, G.; Franskin-Hubin, M.-J.; Natalis, P.; Collin, J.E.,
The HeI photoelectron spectra of methyl-substituted 1,2,4-pentatrienes (vinylallene),
J. Electron Spectrosc. Relat. Phenom., 1979, 16, 35. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction 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.