1-Pentene, 4,4-dimethyl-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI: InChI=1S/C7H14/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3
- IUPAC Standard InChIKey: KLCNJIQZXOQYTE-UHFFFAOYSA-N
- CAS Registry Number: 762-62-9
- 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. - Other names: 2,2-Dimethyl-4-pentene; 4,4-Dimethyl-1-pentene; (CH3)3CCH2CH=CH2; 4,4-dimethylpent-1-ene
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Condensed 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°liquid | -1110.13 ± 0.40 | kcal/mol | Ccb | Rockenfeller and Rossini, 1961 | Derived from the ratio of Heat of combustion; Corresponding ΔfHºliquid = -26.43 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Gas phase ion energetics data
Go To: Top, Condensed 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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.399 ± 0.003 | PE | Masclet, Grosjean, et al., 1973 | LLK |
| 9.6 | PE | Weidner and Schweig, 1972 | Vertical value; LLK |
References
Go To: Top, Condensed 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.
Rockenfeller and Rossini, 1961
Rockenfeller, J.D.; Rossini, F.D.,
Heats of combustion, isomerization, and formation of selected C7, C8, and C10 monoolefin hydrocarbons,
J. Phys. Chem., 1961, 65, 267-272. [all data]
Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G.,
Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects,
J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]
Weidner and Schweig, 1972
Weidner, U.; Schweig, A.,
Theory and application of photoelectron spectroscopy. V. The nature of bonding in vinyl- and allylsilanes: the effects of σ-π (hyperconjugation) pπ-dπ conjugation in these compounds,
J. Organomet. Chem., 1972, 39, 261. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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