Chemical Properties of 1,3,5-Tri-2-naphthylbenzene (CAS 7059-70-3)

InChI

InChI=1S/C36H24/c1-4-10-28-19-31(16-13-25(28)7-1)34-22-35(32-17-14-26-8-2-5-11-29(26)20-32)24-36(23-34)33-18-15-27-9-3-6-12-30(27)21-33/h1-24H

InChI Key

AWIOMAWDKDFGDP-UHFFFAOYSA-N

Formula

C36H24

SMILES

c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)ccc2c1

Molecular Weight¹

456.58

CAS

7059-70-3

Other Names

• 1,1',1''-(1,3,5-Benzenetriyl)trisnaphthalene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[881.00; 971.00]	J/mol×K	[480.00; 560.00]
Cp,liquid	881.00	J/mol×K	480.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	892.00	J/mol×K	490.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	904.00	J/mol×K	500.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	915.00	J/mol×K	510.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	926.00	J/mol×K	520.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	937.00	J/mol×K	530.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	949.00	J/mol×K	540.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	960.00	J/mol×K	550.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	971.00	J/mol×K	560.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,solid	481.00	J/mol×K	300.00	NIST
ΔfusH	[42.26; 42.42]	kJ/mol	[472.00; 472.00]
ΔfusH	42.26	kJ/mol	472.00	NIST
ΔfusH	42.42	kJ/mol	472.00	NIST
ΔfusH	42.26	kJ/mol	472.00	NIST
ΔfusH	42.42	kJ/mol	472.00	NIST
ΔfusS	[89.90; 89.90]	J/mol×K	[472.00; 472.00]
ΔfusS	89.90	J/mol×K	472.00	NIST
ΔfusS	89.90	J/mol×K	472.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.91; 1114.95]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.88290e+02
Coefficient B			2.79960e+00
Coefficient C			-2.13436e-03
Coefficient D			6.38000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	429.91	J/mol×K	273.00	Calculated Property
Cp,gas	563.26	J/mol×K	353.78	Calculated Property
Cp,gas	677.60	J/mol×K	434.56	Calculated Property
Cp,gas	774.93	J/mol×K	515.33	Calculated Property
Cp,gas	857.29	J/mol×K	596.11	Calculated Property
Cp,gas	926.68	J/mol×K	676.89	Calculated Property
Cp,gas	985.12	J/mol×K	757.67	Calculated Property
Cp,gas	1034.64	J/mol×K	838.44	Calculated Property
Cp,gas	1077.24	J/mol×K	919.22	Calculated Property
Cp,gas	1114.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005768; 0.0002164]	Pa×s	[761.86; 1055.36]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.09822e+01
Coefficient B			2.68490e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			761.86
Temperature range, max.			1055.36
η	0.0005768	Pa×s	761.86	Calculated Property
η	0.0004991	Pa×s	794.47	Calculated Property
η	0.0004368	Pa×s	827.08	Calculated Property
η	0.0003862	Pa×s	859.69	Calculated Property
η	0.0003445	Pa×s	892.31	Calculated Property
η	0.0003099	Pa×s	924.92	Calculated Property
η	0.0002807	Pa×s	957.53	Calculated Property
η	0.0002559	Pa×s	990.14	Calculated Property
η	0.0002347	Pa×s	1022.75	Calculated Property
η	0.0002164	Pa×s	1055.36	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-Tri-2-naphthylbenzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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