Chemical Properties of Tetrabenzo[a,f,k,n]perylene (CAS 128746-59-8)

InChI

InChI=1S/C36H20/c1-5-13-26-21(9-1)17-25-18-22-10-2-6-14-27(22)35-31-20-24-12-4-8-16-29(24)33-28-15-7-3-11-23(28)19-30(36(31)33)34(26)32(25)35/h1-20H

InChI Key

XCUCZRCFIJJYST-UHFFFAOYSA-N

Formula

C36H20

SMILES

c1ccc2c(c1)cc1c3c(cc4ccccc4c23)c2c3ccccc3cc3cc4ccccc4c1c32

Molecular Weight¹

452.54

CAS

128746-59-8

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1176.13; 1494.62]	J/mol×K	[1228.76; 1519.31]
Cp,gas	1176.13	J/mol×K	1228.76	Joback Calculated Property
Cp,gas	1214.90	J/mol×K	1277.19	Joback Calculated Property
Cp,gas	1258.52	J/mol×K	1325.61	Joback Calculated Property
Cp,gas	1307.64	J/mol×K	1374.04	Joback Calculated Property
Cp,gas	1362.92	J/mol×K	1422.46	Joback Calculated Property
Cp,gas	1425.02	J/mol×K	1470.89	Joback Calculated Property
Cp,gas	1494.62	J/mol×K	1519.31	Joback Calculated Property
η	[0.0184030; 0.0228438]	Pa×s	[877.42; 1228.76]
η	0.0228438	Pa×s	877.42	Joback Calculated Property
η	0.0217885	Pa×s	935.98	Joback Calculated Property
η	0.0208980	Pa×s	994.53	Joback Calculated Property
η	0.0201371	Pa×s	1053.09	Joback Calculated Property
η	0.0194799	Pa×s	1111.65	Joback Calculated Property
η	0.0189069	Pa×s	1170.20	Joback Calculated Property
η	0.0184030	Pa×s	1228.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetrabenzo[a,f,k,n]perylene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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