1,1':4',1'':4'',1'''-Quaterphenyl
- Formula: C24H18
- Molecular weight: 306.3997
- IUPAC Standard InChI: InChI=1S/C24H18/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
- IUPAC Standard InChIKey: GPRIERYVMZVKTC-UHFFFAOYSA-N
- CAS Registry Number: 135-70-6
- 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: p,p'-Quaterphenyl; p-Quaterphenyl; p-Tetraphenyl; Benzerythrene; Quadriphenyl; 1,1'-Biphenyl, 4,4'-diphenyl-; 4,4'-Diphenylbiphenyl
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Condensed 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 227. ± 7.0 | kJ/mol | Review | Roux, Temprado, et al., 2008 | There are insufficient literature values to properly evaluate the data and insufficient information to construct thermochemical cycles or estimate values for comparison, and one must rely solely upon reported uncertainities and the quality of the measurements. In general, the evaluated uncertainty limits are on the order of (3 to 9) kJ/mol.; DRB |
| ΔfH°solid | 227. ± 6.3 | kJ/mol | Ccb | Balepin, Lebedev, et al., 1977 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -12244. ± 6.3 | kJ/mol | Ccb | Balepin, Lebedev, et al., 1977 | Corresponding ΔfHºsolid = 227. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 363.64 | J/mol*K | N/A | Saito, Atake, et al., 1985 | DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 362.52 | 298.15 | Saito, Atake, et al., 1985 | T = 3 to 300 K.; DH |
| 340. | 300. | Wasicki, Radomska, et al., 1982 | T = 180 to 600 K. Data given graphically. Value estimated from graph.; DH |
Gas phase ion energetics data
Go To: Top, Condensed 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.660 ± 0.020 | LPES | Nakamura, Ando, et al., 2006 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.08 ± 0.05 | EI | Gallegos, 1967 | RDSH |
References
Go To: Top, Condensed 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.
Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y.,
Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons,
J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]
Balepin, Lebedev, et al., 1977
Balepin, A.A.; Lebedev, V.P.; Miroshnichenko, E.A.; Koldobskii, G.I.; Ostovskii, V.A.; Larionov, B.P.; Gidaspov, B.V.; Lebedev, Yu.A.,
Energy effects in polyphenylenes and phenyltetrazoles,
Svoistva Veshchestv Str. Mol., 1977, 93-98. [all data]
Saito, Atake, et al., 1985
Saito, K.; Atake, T.; Chihara, H.,
Molar heat capacity and thermodynamic properties of p-quaterphenyl,
J. Chem. Thermodynam., 1985, 17, 539-548. [all data]
Wasicki, Radomska, et al., 1982
Wasicki, J.; Radomska, M.; Radomski, R.,
Heat capacities of diphenyl, p-terphenyl and p-quaterphenyl from 180 K to their melting points,
J. Therm. Anal., 1982, 25, 509-514. [all data]
Nakamura, Ando, et al., 2006
Nakamura, T.; Ando, N.; Matsumoto, Y.; Furuse, S.; Mitsui, M.; Nakajima, A.,
Adiabatic electron affinities of oligophenyls: Anion photoelectron spectroscopy and density functional theory study,
Chem. Lett., 2006, 35, 8, 888-889, https://doi.org/10.1246/cl.2006.888
. [all data]
Gallegos, 1967
Gallegos, E.J.,
Mass spectrometry of some polyphenyls,
J. Phys. Chem., 1967, 71, 1647. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid EA Electron affinity S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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