Dewar benzene, hexamethyl-
- Formula: C12H18
- Molecular weight: 162.2713
- IUPAC Standard InChIKey: RVNQQZMIWZPGNA-UHFFFAOYSA-N
- CAS Registry Number: 7641-77-2
- 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: Bicyclo[2.2.0]hexa-2,5-diene, 1,2,3,4,5,6-hexamethyl-; Hexamethyl Dewar benzene; Hexamethylbicyclo[2.2.0]hexa-2,5-diene; 1,2,3,4,5,6-Hexamethylbicyclo[2.2.0]hexa-2,5-diene; Bicyclo(2.2.0)hexa-2,5-diene, hexamethyl-; 2-Butin hexamethyl-dewar-benzol; Hexamethyl-bicyclo(2.2.0)hexa-2,5-dien; 1,2,3,4,5,6-hexamethylbicyclo(2,2,0)hexa-2,5-diene
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Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference |
---|---|---|
333.2 | 0.027 | Aldrich Chemical Company Inc., 1990 |
Gas phase ion energetics data
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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 C12H18+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.83 | PE | Bougeard, Schrader, et al., 1974 | Vertical value; LLK |
7.92 | PE | Marschner, Juds, et al., 1973 | Vertical value; LLK |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Bougeard, Schrader, et al., 1974
Bougeard, D.; Schrader, B.; Bleckmann, P.; Plesser, T.,
Ramanspektroskopie und molekulstruktur. VII. Infrarot-, raman- und photoelektronenspektrum des hexamethyl-dewarbenzols; normalkoordinatenberechnung und untersuchung der π-elektronen-wechselwirkung,
Justus Liebigs Ann. Chem., 1974, 156, 137. [all data]
Marschner, Juds, et al., 1973
Marschner, F.; Juds, H.; Goetz, H.,
Zur homokonjugation im hexamethyl-dewar-benzol,
Tetrahedron Lett., 1973, 3983. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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