Chemical Properties of 1,1':3',1''-Terphenyl, 5'-phenyl- (CAS 612-71-5)

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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

InChI Key

SXWIAEOZZQADEY-UHFFFAOYSA-N

Formula

C24H18

SMILES

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1

Molecular Weight¹

306.40

CAS

612-71-5

Other Names

• 1,1'-Biphenyl, 3,5-diphenyl-
• 1,3,5-Triphenylbenzene
• 5'-Phenyl-1,1':3',1''-terphenyl
• 5'-Phenyl-m-terphenyl
• Benzene, 1,3,5-triphenyl-
• NSC 17358
• Symmetrical triphenylbenzene
• Triphenylbenzene
• m-Terphenyl, 5'-phenyl-
• s-Triphenylbenzene

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• Δ_cH°_solid: Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas: Ideal gas heat capacity (J/mol×K).
• C_p,solid: Solid phase heat capacity (J/mol×K).
• η: Dynamic viscosity (Pa×s).
• Δ_fG°: Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas: Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid: Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH°: Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH: Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH°: Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH: Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH°: Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH: Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• Δ_fusS: Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar}: Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil: Normal Boiling Point Temperature (K).
• T_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-12241.30 ± 5.30	kJ/mol	NIST
ΔfG°	581.58	kJ/mol	Joback Calculated Property
ΔfH°gas	371.80 ± 3.80	kJ/mol	NIST
ΔfH°solid	222.00 ± 3.40	kJ/mol	NIST
ΔfH°solid	224.60 ± 5.40	kJ/mol	NIST
ΔfusH°	33.30	kJ/mol	Joback Calculated Property
ΔsubH°	[142.00; 152.00]	kJ/mol
ΔsubH°	149.80 ± 1.60	kJ/mol	NIST
ΔsubH°	147.80 ± 0.70	kJ/mol	NIST
ΔsubH°	150.90	kJ/mol	NIST
ΔsubH°	150.30 ± 0.90	kJ/mol	NIST
ΔsubH°	152.00 ± 0.30	kJ/mol	NIST
ΔsubH°	Outlier 142.00	kJ/mol	NIST
ΔsubH°	149.70 ± 4.10	kJ/mol	NIST
ΔvapH°	133.40 ± 2.00	kJ/mol	NIST
ΔvapH°	140.00	kJ/mol	NIST
logPoct/wat	6.688		Crippen Calculated Property
Pc	2014.51	kPa	Joback Calculated Property
S°solid,1 bar	375.50	J/mol×K	NIST
S°solid,1 bar	367.40	J/mol×K	NIST
Tboil	733.20	K	NIST
Tc	1146.33	K	Joback Calculated Property
Tfus	[444.00; 450.10]	K
Tfus	450.10 ± 4.00	K	NIST
Tfus	448.00 ± 0.30	K	NIST
Tfus	444.00 ± 1.50	K	NIST
Tfus	446.00 ± 3.00	K	NIST
Ttriple	446.00 ± 1.00	K	NIST
Vc	0.948	m3/kg-mol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	732.93	J/mol×K	865.2	Joback Calculated Property
Cp,solid	358.32	J/mol×K	298.1	NIST
Cp,solid	361.00	J/mol×K	298.15	NIST
η	0.0000654	Pa×s	865.2	Joback Calculated Property
ΔfusH	[32.60; 33.40]	kJ/mol	[445.20; 446.00]
ΔfusH	32.60	kJ/mol	445.2	NIST
ΔfusH	33.40	kJ/mol	446.0	NIST
ΔfusH	33.40	kJ/mol	446.0	NIST
ΔfusH	33.40	kJ/mol	446.0	NIST
ΔsubH	[141.20; 164.40]	kJ/mol	[363.00; 427.00]
ΔsubH	164.40 ± 4.20	kJ/mol	363.0	NIST
ΔsubH	145.60 ± 0.90	kJ/mol	376.0	NIST
ΔsubH	142.20	kJ/mol	392.0	NIST
ΔsubH	141.20 ± 0.70	kJ/mol	418.0	NIST
ΔsubH	142.00	kJ/mol	427.0	NIST
ΔvapH	118.00	kJ/mol	477.0	NIST
ΔvapH	77.50	kJ/mol	617.5	NIST
ΔfusS	75.10	J/mol×K	446.0	NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring)	6
=CH- (ring)	18

Similar Compounds

Find more compounds similar to 1,1':3',1''-Terphenyl, 5'-phenyl-.

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