9,10[1',2']-Benzenoanthracene, 9,10-dihydro-
- Formula: C20H14
- Molecular weight: 254.3252
- IUPAC Standard InChI: InChI=1S/C20H14/c1-2-8-14-13(7-1)19-15-9-3-5-11-17(15)20(14)18-12-6-4-10-16(18)19/h1-12,19-20H
- IUPAC Standard InChIKey: NGDCLPXRKSWRPY-UHFFFAOYSA-N
- CAS Registry Number: 477-75-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Triptycene; 9,10-o-Benzenoanthracene, 9,10-dihydro-; Tribenzobicyclo[2.2.2]octatriene; Tryptycene; Anthracene, 9,10-dihydro-9,10-O-benzeno-; 9,10-o-benzeno-9,10-dihydroanthracene
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Gas 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 76.9 ± 3.0 | kcal/mol | Ccb | Rodgers, Westrum, et al., 1973 | ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 67.751 | 298.15 | Bencivenni L., 1979 | GT |
| 85.000 | 370. | ||
| 87.239 | 380. | ||
| 89.431 | 390. | ||
| 91.580 | 400. | ||
| 93.681 | 410. | ||
| 95.729 | 420. | ||
| 97.811 | 430. |
Gas phase ion energetics data
Go To: Top, Gas 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.8 | PE | Martin, Mayer, et al., 1983 | LBLHLM |
| 7.8 | PE | Haselbach, Neuhaus, et al., 1982 | LBLHLM |
| 7.89 | PE | Martin, Mayer, et al., 1983 | Vertical value; LBLHLM |
| 7.9 | PE | Haselbach, Neuhaus, et al., 1982 | Vertical value; LBLHLM |
References
Go To: Top, Gas 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.
Rodgers, Westrum, et al., 1973
Rodgers, D.L.; Westrum, E.F., Jr.; Andrews, J.T.S.,
The enthalpies of combustion and formation of [2.2]-paracyclophane and triptycene,
J. Chem. Thermodyn., 1973, 5, 733-739. [all data]
Bencivenni L., 1979
Bencivenni L.,
Vibrational spectrum and thermodynamic functions of gaseous triptycene,
J. Mol. Struct., 1979, 53, 25-29. [all data]
Martin, Mayer, et al., 1983
Martin, H.-D.; Mayer, B.; Gleiter, R.; Schafer, W.; Vogtle, F.,
Photoelektronenspektroskopische untersuchung transanularer π-,σ- und n-wechselwirkungen in bruckenkopfsubstituierten triptycenen,
Chem. Ber., 1983, 116, 2546. [all data]
Haselbach, Neuhaus, et al., 1982
Haselbach, E.; Neuhaus, L.; Johnson, R.P.; Houk, K.N.; Paddon-Row, M.N.,
.PI.-Orbital interactions in mobius-type molecules as studied by photoelectron spectroscopy,
Helv. Chim. Acta, 1982, 65, 1743. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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