trans-1,2-di-tert-butylethylene
- Formula: C10H20
- Molecular weight: 140.2658
- IUPAC Standard InChIKey: UYWLQEPMPVDASH-BQYQJAHWSA-N
- CAS Registry Number: 692-48-8
- 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. - Stereoisomers:
- Other names: 3-Hexene, 2,2,5,5-tetramethyl-, (E)-; (E)-2,2,5,5-tetramethylhex-3-ene; (E)-2,2,5,5-Tetramethyl-3-hexene
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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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 398.3 | K | N/A | Turner, Nettleton, et al., 1958 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tboil | 398.3 | K | N/A | Bader, Buckley, et al., 1957 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 398.3 | K | N/A | Newman, 1956 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 268.4 | K | N/A | Turner, Nettleton, et al., 1958 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 268.4 | K | N/A | Bader, Buckley, et al., 1957 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 268. | K | N/A | Yohe, Dunbar, et al., 1956 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.04 ± 0.06 | kcal/mol | C | Fuchs and Peacock, 1979 | ALS |
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.741 ± 0.008 | PE | Masclet, Grosjean, et al., 1973 | LLK |
8.73 ± 0.01 | PI | Demeo and El-Sayed, 1970 | RDSH |
8.89 | PE | Robin, Taylor, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C4H9+ | 11.23 ± 0.05 | ? | EI | Natalis and Franklin, 1966 | RDSH |
C5H9+ | 12.06 ± 0.05 | ? | EI | Natalis and Franklin, 1966 | RDSH |
C5H10+ | 9.60 ± 0.05 | ? | EI | Natalis and Franklin, 1966 | RDSH |
C6H10+ | 8.76 ± 0.08 | C4H10 | EI | Natalis and Franklin, 1966 | RDSH |
C6H11+ | 10.68 ± 0.04 | ? | EI | Natalis and Franklin, 1966 | RDSH |
C6H12+ | 9.15 ± 0.06 | C4H8 | EI | Natalis and Franklin, 1966 | RDSH |
C7H13+ | 10.04 ± 0.05 | C3H7 | EI | Natalis and Franklin, 1966 | RDSH |
C9H17+ | 10.70 ± 0.06 | CH3 | EI | Natalis and Franklin, 1966 | RDSH |
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.
Turner, Nettleton, et al., 1958
Turner, R.B.; Nettleton, D.E.; Perelman, M.,
Heats of Hydrogenation VI. Heats of Hydr. of SOm Substituted Ethylenes,
J. Am. Chem. Soc., 1958, 80, 1430. [all data]
Bader, Buckley, et al., 1957
Bader, A.R.; Buckley, R.P.; Leavitt, F.; Szwarc, M.,
J. Am. Chem. Soc., 1957, 79, 5621. [all data]
Newman, 1956
Newman, M.,
Private Communication, Ohio State Univ., 1956. [all data]
Yohe, Dunbar, et al., 1956
Yohe, G.R.; Dunbar, J.E.; Pedrotti, R.L.; Scheidt, F.M.; Lee, F.G.H.; Smith, E.C.,
J. Org. Chem., 1956, 21, 1289. [all data]
Fuchs and Peacock, 1979
Fuchs, R.; Peacock, L.A.,
Heats of vaporization and gaseous heats of formation of some five- and six-membered ring alkenes,
Can. J. Chem., 1979, 57, 2302-2304. [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]
Demeo and El-Sayed, 1970
Demeo, D.A.; El-Sayed, M.A.,
Ionization potential and structure of olefins,
J. Chem. Phys., 1970, 52, 2622. [all data]
Robin, Taylor, et al., 1973
Robin, M.B.; Taylor, G.N.; Kuebler, N.A.; Bach, R.D.,
Planarity of the carbon skeleton in various alkylated olefins,
J. Org. Chem., 1973, 38, 1049. [all data]
Natalis and Franklin, 1966
Natalis, P.; Franklin, J.L.,
Etude du comportement d'isomeres geometriques sous l'impact electronique. VI. Les cis- et trans-1,2-di-terbutyl-ethylenes,
Bull. Soc. Chim. Belges, 1966, 75, 328. [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 ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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