1,1':3',1''-Terphenyl, 5'-phenyl-
- Formula: C24H18
- Molecular weight: 306.3997
- IUPAC Standard InChI: InChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-18H
- IUPAC Standard InChIKey: SXWIAEOZZQADEY-UHFFFAOYSA-N
- CAS Registry Number: 612-71-5
- 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: m-Terphenyl, 5'-phenyl-; Benzene, 1,3,5-triphenyl-; 1,1'-Biphenyl, 3,5-diphenyl-; 1,3,5-Triphenylbenzene; s-Triphenylbenzene; Triphenylbenzene; 5'-Phenyl-m-terphenyl; Symmetrical triphenylbenzene; 5'-Phenyl-1,1':3',1''-terphenyl; NSC 17358
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, 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 | 222. ± 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 | 224.6 ± 5.4 | kJ/mol | Ccb | Richardson and Parks, 1939 | Reanalyzed by Cox and Pilcher, 1970, Original value = 221.4 kJ/mol; see Richardson, 1939; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -12241.3 ± 5.3 | kJ/mol | Ccb | Richardson and Parks, 1939 | Reanalyzed by Cox and Pilcher, 1970, Original value = -12236.1 kJ/mol; see Richardson, 1939; Corresponding ΔfHºsolid = 224.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 375.5 | J/mol*K | N/A | Lebedev, Bykova, et al., 1982 | DH |
| S°solid,1 bar | 367.4 | J/mol*K | N/A | Parks, Todd, et al., 1936 | Extrapolation below 90 K, 114.64 J/mol*K.; DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 361.0 | 298.15 | Lebedev, Bykova, et al., 1982 | T = 13.8 to 480 K.; DH |
| 358.32 | 298.1 | Parks, Todd, et al., 1936 | T = 90 to 300 K.; DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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]
Richardson and Parks, 1939
Richardson, J.W.; Parks, G.S.,
Thermal data on organic compounds. XIX. Modern combustion data for some non-volatile compounds containing carbon, hydrogen and oxygen,
J. Am. Chem. Soc., 1939, 61, 3543-3546. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Richardson, 1939
Richardson, J.W.,
Precise determination of the heats of combustion of some representative organic compounds, Ph.D. Thesis for Standford University, 1939, 1-122. [all data]
Lebedev, Bykova, et al., 1982
Lebedev, B.V.; Bykova, T.A.; Smirnova, N.N.; Kulagina, T.G.,
Thermodynmics of phenylacetylene, its cyclotrimerization, and the resulting 1,3,5-triphenylbenzene at 0-480 K,
Zhur. Obshch. Khim., 1982, 52, 2630-2636. [all data]
Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Moore, W.A.,
Thermal data on organic compounds. XVI. Some heat capacity, entropy and free energy data for typical benzene derivatives and heterocyclic compounds,
J. Am. Chem. Soc., 1936, 58, 398-401. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid 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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