Benzene, (2,2-dimethyl-1-methylenepropyl)-
- Formula: C12H16
- Molecular weight: 160.2554
- IUPAC Standard InChI: InChI=1S/C12H16/c1-10(12(2,3)4)11-8-6-5-7-9-11/h5-9H,1H2,2-4H3
- IUPAC Standard InChIKey: OJHQXSRIBZMCSR-UHFFFAOYSA-N
- CAS Registry Number: 5676-29-9
- 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. - Other names: Styrene, α-tert-butyl-; α-tert-Butylstyrene; 1-tert-Butyl-1-phenylethylene; 3,3-Dimethyl-2-phenylbutene
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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: William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 53.2 ± 0.1 | kJ/mol | GS | Verevkin and Ebenhoch, 1999 | Based on data from 298. to 318. K. |
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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 859.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 830.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.25 ± 0.04 | EI | Benito, Seidl, et al., 1973 | LLK |
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.
Verevkin and Ebenhoch, 1999
Verevkin, Sergey P.; Ebenhoch, Jochen,
Structural Chemistry, 1999, 10, 6, 401-409, https://doi.org/10.1023/A:1022470804409
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Benito, Seidl, et al., 1973
Benito, I.; Seidl, H.; Bock, H.,
Efectos electronicos y estericos de sustituyentes alquilicos y silicicos sobre el sistema electronico π del estireno,
Rev. Fac. Cienc. Univ. Oviedo, 1973, 14, 95. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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