Chemical Properties of Benzo[ghi]naphth[2',1',8',7':5,6,7]aceanthrylene[10,1,2-abcd]perylene

InChI

InChI=1S/C38H16/c1-2-17-4-5-18-10-11-22-16-26-23-14-12-20-8-6-19-7-9-21-13-15-25-33-24(3-1)27(17)28(18)32(22)37(33)36(26)38-34(23)30(20)29(19)31(21)35(25)38/h1-16H

InChI Key

AFECLTNBDNMWBV-UHFFFAOYSA-N

Formula

C38H16

SMILES

c1cc2ccc3ccc4cc5c6c7c8c-5ccc5ccc9ccc%10ccc(c%11c(c1)c2c3c4c6%11)c7c%10c9c58

Molecular Weight¹

472.55

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[1299.83; 1965.60]	J/mol×K	[1308.10; 1604.13]
Cp,gas	1299.83	J/mol×K	1308.10	Joback Calculated Property
Cp,gas	1378.89	J/mol×K	1357.44	Joback Calculated Property
Cp,gas	1469.33	J/mol×K	1406.78	Joback Calculated Property
Cp,gas	1572.18	J/mol×K	1456.11	Joback Calculated Property
Cp,gas	1688.48	J/mol×K	1505.45	Joback Calculated Property
Cp,gas	1819.28	J/mol×K	1554.79	Joback Calculated Property
Cp,gas	1965.60	J/mol×K	1604.13	Joback Calculated Property
η	[7.8038373; 10.7413360]	Pa×s	[1067.02; 1308.10]
η	7.8038373	Pa×s	1067.02	Joback Calculated Property
η	8.3105397	Pa×s	1107.20	Joback Calculated Property
η	8.8112341	Pa×s	1147.38	Joback Calculated Property
η	9.3051842	Pa×s	1187.56	Joback Calculated Property
η	9.7918044	Pa×s	1227.74	Joback Calculated Property
η	10.2706377	Pa×s	1267.92	Joback Calculated Property
η	10.7413360	Pa×s	1308.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzo[ghi]naphth[2',1',8',7':5,6,7]aceanthrylene[10,1,2-abcd]perylene.

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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