Chemical Properties of Anthra[2,3-a]coronene (CAS 5869-17-0)

InChI

InChI=1S/C36H18/c1-2-4-24-16-26-18-30-28-14-12-22-10-8-20-6-5-19-7-9-21-11-13-27(29(30)17-25(26)15-23(24)3-1)35-33(21)31(19)32(20)34(22)36(28)35/h1-18H

InChI Key

MEJKLMDIDWGEPF-UHFFFAOYSA-N

Formula

C36H18

SMILES

c1ccc2cc3cc4c(cc3cc2c1)c1ccc2ccc3ccc5ccc6ccc4c4c6c5c3c2c14

Molecular Weight¹

450.53

CAS

5869-17-0

• 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	[1165.67; 1566.95]	J/mol×K	[1237.32; 1526.05]
Cp,gas	1165.67	J/mol×K	1237.32	Joback Calculated Property
Cp,gas	1213.56	J/mol×K	1285.44	Joback Calculated Property
Cp,gas	1268.03	J/mol×K	1333.56	Joback Calculated Property
Cp,gas	1329.84	J/mol×K	1381.68	Joback Calculated Property
Cp,gas	1399.76	J/mol×K	1429.81	Joback Calculated Property
Cp,gas	1478.54	J/mol×K	1477.93	Joback Calculated Property
Cp,gas	1566.95	J/mol×K	1526.05	Joback Calculated Property
η	[0.1858032; 0.2034462]	Pa×s	[935.20; 1237.32]
η	0.1858032	Pa×s	935.20	Joback Calculated Property
η	0.1893636	Pa×s	985.55	Joback Calculated Property
η	0.1926365	Pa×s	1035.91	Joback Calculated Property
η	0.1956549	Pa×s	1086.26	Joback Calculated Property
η	0.1984470	Pa×s	1136.61	Joback Calculated Property
η	0.2010371	Pa×s	1186.97	Joback Calculated Property
η	0.2034462	Pa×s	1237.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Anthra[2,3-a]coronene.

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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