p-Terphenyl
- Formula: C18H14
- Molecular weight: 230.3038
- IUPAC Standard InChI: InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H
- IUPAC Standard InChIKey: XJKSTNDFUHDPQJ-UHFFFAOYSA-N
- CAS Registry Number: 92-94-4
- 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. - Isotopologues:
- Other names: 1,1':4',1''-Terphenyl; p-Diphenylbenzene; p-Triphenyl; Santowax P; 1,1'-Biphenyl, 4-phenyl-; 1,4-Diphenylbenzene; 4-Phenylbiphenyl; 4-Phenyldiphenyl; Biphenyl, 4-phenyl-; NSC 6810; PT; PTP
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 284.4 ± 3.8 | kJ/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB |
| ΔfH°gas | 279. ± 6.3 | kJ/mol | Ccb | Balepin, Lebedev, et al., 1977 | ALS |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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 | 158.8 ± 3.4 | kJ/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient literature values to make a qualified recommendation where the suggested value is in good agreement with values predicted using thermochemical cycles or from reliable estimates. In general, the evaluated uncertainty limits are on the order of (2 to 4) kJ/mol.; DRB |
| ΔfH°solid | 163. ± 4.6 | kJ/mol | Ccb | Balepin, Lebedev, et al., 1977 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -9246.6 ± 4.6 | kJ/mol | Ccb | Balepin, Lebedev, et al., 1977 | Corresponding ΔfHºsolid = 163. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 285.23 | J/mol*K | N/A | Saito, Atake, et al., 1988 | crystaline, I phase; DH |
| S°solid,1 bar | 285.62 | J/mol*K | N/A | Chang, 1983 | DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 278.12 | 298.15 | Saito, Atake, et al., 1988 | crystaline, I phase; T = 5 to 300 K.; DH |
| 278.68 | 298.15 | Chang, 1983 | T = 4 to 580 K. Cp = 35.12 + 0.58825T + 0.0010062T2 - 8.042x10-7T3 from 80 to 300 K.; DH |
| 260. | 300. | Wasicki, Radomska, et al., 1982 | T = 180 to 500 K. Data given graphically. Value estimated from graph.; DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 7.80 ± 0.03 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.83 | PE | Hino, Seki, et al., 1975 | LLK |
| 7.78 ± 0.01 | PE | Dewar and Goodman, 1972 | LLK |
| 8.29 | CTS | Slifkin and Allison, 1967 | RDSH |
| 8.78 ± 0.05 | EI | Gallegos, 1967 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, 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., 1988
Saito, K.; Atake, T.; Chihara, H.,
Thermodynamic studies on order-disorder phase transitions of p-terphenyl and p-terphenyl-d14,
Bull. Chem. Soc. Japan, 1988, 61, 2327-2336. [all data]
Chang, 1983
Chang, S.S.,
Heat capacity and thermodynamic properties of p-terphenyl: study of order-disorder transition by automated high-resolution adiabatic calorimetry,
J. Chem. Phys., 1983, 79, 6229-6236. [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]
Hino, Seki, et al., 1975
Hino, S.; Seki, K.; Inokuchi, H.,
Photoelectron spectra of p-terphenyl in gaseous and solid states,
Chem. Phys. Lett., 1975, 36, 335. [all data]
Dewar and Goodman, 1972
Dewar, M.J.S.; Goodman, D.W.,
Photoelectron spectra of molecules. Part 5.--Polycyclic aromatic hydrocarbons,
J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1784. [all data]
Slifkin and Allison, 1967
Slifkin, M.A.; Allison, A.C.,
Measurement of ionization potentials from contact charge transfer spectra,
Nature, 1967, 215, 949. [all data]
Gallegos, 1967
Gallegos, E.J.,
Mass spectrometry of some polyphenyls,
J. Phys. Chem., 1967, 71, 1647. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid IE (evaluated) Recommended ionization energy S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas 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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