Diacenaphtho[1,2-j:1',2'-l]fluoranthene
- Formula: C36H18
- Molecular weight: 450.5281
- IUPAC Standard InChI: InChI=1S/C36H18/c1-7-19-8-2-14-23-28(19)22(13-1)31-32(23)34-26-17-5-11-21-12-6-18-27(30(21)26)36(34)35-25-16-4-10-20-9-3-15-24(29(20)25)33(31)35/h1-18H
- IUPAC Standard InChIKey: CUIWZLHUNCCYBL-UHFFFAOYSA-N
- CAS Registry Number: 191-48-0
- 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: Decacyclene; Diacenaphtheno[1,2-j:1',2'-l]fluoranthen; tri-Perinaphthylene benzene; benzo[a,a',a']triacenaphthylene
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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
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 666. | K | N/A | Smith, 1980 | Uncertainty assigned by TRC = 1. K; TRC |
| Tfus | 562.0 | K | N/A | Farrell and Shahidi, 1979 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.3 K; TRC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 10.803 | 562.0 | Farrell, Shahidi, et al., 1979 | DH |
| 6.07 | 666. | Smith, 1980, 2 | AC |
Entropy of fusion
| ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 19.2 | 562.0 | Farrell, Shahidi, et al., 1979 | DH |
Temperature of phase transition
| Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|
| 533. | crystaline, II | crystaline, I | Farrell, Shahidi, et al., 1979 | DH |
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 by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 7.3 ± 0.1 | EI | Gallegos, 1968 |
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.
Smith, 1980
Smith, G.W.,
Phase behavior of some condensed polycyclic aromatics,
Mol. Cryst. Liq. Cryst., 1980, 64, 15. [all data]
Farrell and Shahidi, 1979
Farrell, P.G.; Shahidi, F.,
DSC studies of aromatic hydrocarbon picrates,
Thermochim. Acta, 1979, 33, 275. [all data]
Farrell, Shahidi, et al., 1979
Farrell, P.G.; Shahidi, F.; Casellato, F.; Vecchi, C.; Girelli, A.,
DSC studies of aromatic hydrocarbon picrates,
Thermochim. Acta, 1979, 33, 275-280. [all data]
Smith, 1980, 2
Smith, George W.,
Phase Behavior of some Condensed Polycyclic Aromatics,
Molecular Crystals and Liquid Crystals, 1980, 64, 1, 15-17, https://doi.org/10.1080/01406568008072649
. [all data]
Gallegos, 1968
Gallegos, E.J.,
Mass spectrometry and ionization energies of some condensed-ring aromatic and heterocyclic compounds,
J. Phys. Chem., 1968, 72, 3452. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tfus Fusion (melting) point Ttrs Temperature of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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