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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1830.35; 2996.46]	J/mol×K	[1477.04; 1809.66]
Cp,gas	1830.35	J/mol×K	1477.04	Joback Calculated Property
Cp,gas	1971.38	J/mol×K	1532.48	Joback Calculated Property
Cp,gas	2131.67	J/mol×K	1587.91	Joback Calculated Property
Cp,gas	2312.77	J/mol×K	1643.35	Joback Calculated Property
Cp,gas	2516.24	J/mol×K	1698.79	Joback Calculated Property
Cp,gas	2743.62	J/mol×K	1754.23	Joback Calculated Property
Cp,gas	2996.46	J/mol×K	1809.66	Joback Calculated Property
η	[6.3188025; 7.9372303]	Pa×s	[1173.58; 1477.04]
η	6.3188025	Pa×s	1173.58	Joback Calculated Property
η	6.6153098	Pa×s	1224.16	Joback Calculated Property
η	6.9005746	Pa×s	1274.73	Joback Calculated Property
η	7.1749837	Pa×s	1325.31	Joback Calculated Property
η	7.4389474	Pa×s	1375.89	Joback Calculated Property
η	7.6928880	Pa×s	1426.46	Joback Calculated Property
η	7.9372303	Pa×s	1477.04	Joback 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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