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

InChI

InChI=1S/C46H26/c1-3-7-37-27(5-1)9-11-29-13-15-31-17-19-33-21-23-35-25-26-36-24-22-34-20-18-32-16-14-30-12-10-28-6-2-4-8-38(28)40(30)42(32)44(34)46(36)45(35)43(33)41(31)39(29)37/h1-26H

InChI Key

BWVBAFLXLKBSEB-UHFFFAOYSA-N

Formula

C46H26

SMILES

c1ccc2c(c1)ccc1ccc3ccc4ccc5ccc6ccc7ccc8ccc9ccc%10ccccc%10c9c8c7c6c5c4c3c12

Molecular Weight¹

578.71

• 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	[537.03; 1338.79]	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			-2.58570e+02
Coefficient B			3.72240e+00
Coefficient C			-3.27364e-03
Coefficient D			1.14860e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	537.03	J/mol×K	273.00	Calculated Property
Cp,gas	699.47	J/mol×K	353.78	Calculated Property
Cp,gas	835.09	J/mol×K	434.56	Calculated Property
Cp,gas	947.52	J/mol×K	515.33	Calculated Property
Cp,gas	1040.42	J/mol×K	596.11	Calculated Property
Cp,gas	1117.39	J/mol×K	676.89	Calculated Property
Cp,gas	1182.08	J/mol×K	757.67	Calculated Property
Cp,gas	1238.13	J/mol×K	838.44	Calculated Property
Cp,gas	1289.15	J/mol×K	919.22	Calculated Property
Cp,gas	1338.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0247104; 0.0202670]	Pa×s	[1074.28; 1297.40]	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			-4.85319e+00
Coefficient B			1.23828e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			1074.28
Temperature range, max.			1297.40
η	0.0247104	Pa×s	1074.28	Calculated Property
η	0.0240762	Pa×s	1099.07	Calculated Property
η	0.0234852	Pa×s	1123.86	Calculated Property
η	0.0229333	Pa×s	1148.65	Calculated Property
η	0.0224169	Pa×s	1173.45	Calculated Property
η	0.0219328	Pa×s	1198.24	Calculated Property
η	0.0214781	Pa×s	1223.03	Calculated Property
η	0.0210504	Pa×s	1247.82	Calculated Property
η	0.0206473	Pa×s	1272.61	Calculated Property
η	0.0202670	Pa×s	1297.40	Calculated Property

Similar Compounds

Find more compounds similar to Bisbenzo[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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