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:
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Isotopologues:
- p-Terphenyl-d14
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

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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
Δ_fH°_gas	67.97 ± 0.91	kcal/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
Δ_fH°_gas	66.6 ± 1.5	kcal/mol	Ccb	Balepin, Lebedev, et al., 1977	ALS

Condensed phase thermochemistry data

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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
Δ_fH°_solid	37.95 ± 0.81	kcal/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
Δ_fH°_solid	38.9 ± 1.1	kcal/mol	Ccb	Balepin, Lebedev, et al., 1977	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-2210.0 ± 1.1	kcal/mol	Ccb	Balepin, Lebedev, et al., 1977	Corresponding Δ_fHº_solid = 38.9 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	68.172	cal/mol*K	N/A	Saito, Atake, et al., 1988	crystaline, I phase; DH
S°_{solid,1 bar}	68.265	cal/mol*K	N/A	Chang, 1983	DH

Constant pressure heat capacity of solid

C_p,solid (cal/mol*K)	Temperature (K)	Reference	Comment
66.472	298.15	Saito, Atake, et al., 1988	crystaline, I phase; T = 5 to 300 K.; DH
66.606	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
62.1	300.	Wasicki, Radomska, et al., 1982	T = 180 to 500 K. Data given graphically. Value estimated from graph.; DH

References

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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]

Notes

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Symbols used in this document:

C_p,solid	Constant pressure heat capacity of solid
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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