Chemical Properties of Bisnaphtho[1',2':5,6]phenanthro[3,4-c:4',3'-g]phenanthrene

InChI

InChI=1S/C54H30/c1-3-7-43-31(5-1)9-11-33-13-15-35-17-19-37-21-23-39-25-27-41-29-30-42-28-26-40-24-22-38-20-18-36-16-14-34-12-10-32-6-2-4-8-44(32)46(34)48(36)50(38)52(40)54(42)53(41)51(39)49(37)47(35)45(33)43/h1-30H

InChI Key

FDSRORWATQEJOV-UHFFFAOYSA-N

Formula

C54H30

SMILES

c1ccc2c(c1)ccc1ccc3ccc4ccc5ccc6ccc7ccc8ccc9ccc%10ccc%11ccc%12ccccc%12c%11c%10c9c8c7c6c5c4c3c12

Molecular Weight¹

678.83

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[629.85; 1563.87]	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			-3.00130e+02
Coefficient B			4.35600e+00
Coefficient C			-3.84820e-03
Coefficient D			1.35620e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	629.85	J/mol×K	273.00	Calculated Property
Cp,gas	819.34	J/mol×K	353.78	Calculated Property
Cp,gas	977.40	J/mol×K	434.56	Calculated Property
Cp,gas	1108.31	J/mol×K	515.33	Calculated Property
Cp,gas	1216.36	J/mol×K	596.11	Calculated Property
Cp,gas	1305.84	J/mol×K	676.89	Calculated Property
Cp,gas	1381.05	J/mol×K	757.67	Calculated Property
Cp,gas	1446.26	J/mol×K	838.44	Calculated Property
Cp,gas	1505.77	J/mol×K	919.22	Calculated Property
Cp,gas	1563.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0594564; 0.0497807]	Pa×s	[1254.88; 1516.02]	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			-3.85362e+00
Coefficient B			1.29392e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			1254.88
Temperature range, max.			1516.02
η	0.0594564	Pa×s	1254.88	Calculated Property
η	0.0580869	Pa×s	1283.90	Calculated Property
η	0.0568074	Pa×s	1312.91	Calculated Property
η	0.0556096	Pa×s	1341.93	Calculated Property
η	0.0544863	Pa×s	1370.94	Calculated Property
η	0.0534308	Pa×s	1399.96	Calculated Property
η	0.0524374	Pa×s	1428.98	Calculated Property
η	0.0515009	Pa×s	1457.99	Calculated Property
η	0.0506167	Pa×s	1487.01	Calculated Property
η	0.0497807	Pa×s	1516.02	Calculated Property

Similar Compounds

Find more compounds similar to Bisnaphtho[1',2':5,6]phenanthro[3,4-c:4',3'-g]phenanthrene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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