- Formula: C15H12
- Molecular weight: 192.2558
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: CPGPAVAKSZHMBP-UHFFFAOYSA-N
- CAS Registry Number: 779-02-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 9-Methylanthracene
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Reaction thermochemistry data
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Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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C15H11- + =
By formula: C15H11- + H+ = C15H12
|rH°||362.2 ± 2.4||kcal/mol||G+TS||Bartmess and Griffiths, 1990||gas phase; Isomer 9-methylene-9,10-dihydroanthracene: «DELTA»G=349.0±3.0, «DELTA»S=27.0, «DELTA»H=357.1;DH: Zhang, Bordwell, et al., 1993; B|
|rG°||355.1 ± 2.3||kcal/mol||IMRE||Bartmess and Griffiths, 1990||gas phase; Isomer 9-methylene-9,10-dihydroanthracene: «DELTA»G=349.0±3.0, «DELTA»S=27.0, «DELTA»H=357.1;DH: Zhang, Bordwell, et al., 1993; B|
C21H12N4 = +
By formula: C21H12N4 = C6N4 + C15H12
|rH°||14.9||kcal/mol||Kin||Lotfi and Roberts, 1979||liquid phase; solvent: CCl4; Spectrophotometrically; ALS|
Go To: Top, Reaction thermochemistry data, Notes
Bartmess and Griffiths, 1990
Bartmess, J.E.; Griffiths, S.S., Tautomerization Energetics of Benzoannelated Toluenes, J. Am. Chem. Soc., 1990, 112, 8, 2932, https://doi.org/10.1021/ja00164a014 . [all data]
Zhang, Bordwell, et al., 1993
Zhang, X.M.; Bordwell, F.G.; Bares, J.E.; Cheng, J.P.; Petrie, B.C., Homolytic Bond Dissociation Energies of the Acidic C-H Bonds in alpha-Substituted and 10-Substituted 9-Methylanthracenes and Their Related Radical Anions, J. Org. Chem., 1993, 58, 11, 3051, https://doi.org/10.1021/jo00063a025 . [all data]
Lotfi and Roberts, 1979
Lotfi, M.; Roberts, R.M.G., Kinetics and mechanism of Diels-Alder additions of tetracyanoethylene to anthracene derivatives - I. Substituent effects, Tetrahedron, 1979, 35, 2131-2136. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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