o-Terphenyl
- Formula: C18H14
- Molecular weight: 230.3038
- IUPAC Standard InChI: InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H
- IUPAC Standard InChIKey: OIAQMFOKAXHPNH-UHFFFAOYSA-N
- CAS Registry Number: 84-15-1
- 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: 1,1':2',1''-Terphenyl; 1,1'-Biphenyl, 2-phenyl-; 1,2-Diphenylbenzene; 2-Phenylbiphenyl
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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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°liquid | 337.11 | J/mol*K | N/A | Chang and Bestul, 1972 | DH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°solid | 179.8 ± 3.1 | 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 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 298.81 | J/mol*K | N/A | Chang and Bestul, 1972 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 369.05 | 298.15 | Chang and Bestul, 1972 | T = 250 to 360 K. Supercooled liquid below Tm 329.35 K.; DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 274.75 | 298.15 | Chang and Bestul, 1972 | T = 2 to 350 K. Also data for annealed and quenched glass.; 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 evaluated as indicated in comments:
L - Sharon G. Lias
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
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) | 7.99 ± 0.01 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.0 | PE | Kobayashi, 1983 | LBLHLM |
| 7.99 ± 0.01 | PE | Dewar and Goodman, 1972 | LLK |
| 8.43 | CTS | Slifkin and Allison, 1967 | RDSH |
| 8.64 ± 0.05 | EI | Gallegos, 1967 | RDSH |
| 8.2 | PE | Kobayashi, 1983 | Vertical value; LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C17H11+ | 12.0 ± 0.1 | ? | EI | Gallegos, 1967 | RDSH |
| C18H12+ | 11.7 ± 0.1 | H2 | EI | Gallegos, 1967 | RDSH |
| C18H13+ | 11.7 ± 0.1 | H | 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.
Chang and Bestul, 1972
Chang, S.S.; Bestul, A.B.,
Heat capacity and thermodynamic properties of o-terphenyl crystal, glass and liquid,
J. Chem. D Phys., 1972, 56, 503-516. [all data]
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]
Kobayashi, 1983
Kobayashi, T.,
Conformational analysis of terphenyls by photoelectron spectroscopy,
Bull. Chem. Soc. Jpn., 1983, 56, 3224. [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, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid IE (evaluated) Recommended ionization energy S°liquid Entropy of liquid at standard conditions S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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