Chemical Properties of Dibenzo[a,jk]phenanthro[8,9,10,12-cdefgh]pyranthrene

InChI

InChI=1S/C44H20/c1-3-9-25-23(7-1)27-11-5-13-29-31-17-18-32-30-14-6-12-28-24-8-2-4-10-26(24)34-20-22-16-15-21-19-33(25)41(37(27)29)43-35(21)36(22)44(40(32)39(31)43)42(34)38(28)30/h1-20H

InChI Key

ZZBAIFNSSHILSC-UHFFFAOYSA-N

Formula

C44H20

SMILES

c1ccc2c(c1)c1cccc3c4ccc5c6cccc7c8ccccc8c8cc9ccc%10cc2c(c13)c1c%10c9c(c8c76)c5c41

Molecular Weight¹

548.64

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.00; 1186.67]	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			-2.78730e+02
Coefficient B			3.78200e+00
Coefficient C			-3.83180e-03
Coefficient D			1.51520e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	499.00	J/mol×K	273.00	Calculated Property
Cp,gas	646.76	J/mol×K	353.78	Calculated Property
Cp,gas	765.51	J/mol×K	434.56	Calculated Property
Cp,gas	860.02	J/mol×K	515.33	Calculated Property
Cp,gas	935.10	J/mol×K	596.11	Calculated Property
Cp,gas	995.53	J/mol×K	676.89	Calculated Property
Cp,gas	1046.12	J/mol×K	757.67	Calculated Property
Cp,gas	1091.64	J/mol×K	838.44	Calculated Property
Cp,gas	1136.89	J/mol×K	919.22	Calculated Property
Cp,gas	1186.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[6.3188025; 6.8563570]	Pa×s	[1173.58; 1266.76]	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			2.95345e+00
Coefficient B			-1.30258e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			1173.58
Temperature range, max.			1266.76
η	6.3188025	Pa×s	1173.58	Calculated Property
η	6.3804347	Pa×s	1183.93	Calculated Property
η	6.4415838	Pa×s	1194.29	Calculated Property
η	6.5022529	Pa×s	1204.64	Calculated Property
η	6.5624447	Pa×s	1215.00	Calculated Property
η	6.6221625	Pa×s	1225.35	Calculated Property
η	6.6814093	Pa×s	1235.70	Calculated Property
η	6.7401885	Pa×s	1246.06	Calculated Property
η	6.7985033	Pa×s	1256.41	Calculated Property
η	6.8563570	Pa×s	1266.76	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[a,jk]phenanthro[8,9,10,12-cdefgh]pyranthrene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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