Chemical Properties of Benzo[a]pentaphene

InChI

InChI=1S/C26H16/c1-2-7-19-15-24-20(13-18(19)6-1)11-12-22-14-21-10-9-17-5-3-4-8-23(17)25(21)16-26(22)24/h1-16H

InChI Key

BRPWPKAUGQCZPI-UHFFFAOYSA-N

Formula

C26H16

SMILES

c1ccc2cc3c(ccc4cc5ccc6ccccc6c5cc43)cc2c1

Molecular Weight¹

328.41

• ω : Acentric Factor.
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[305.00; 776.09]	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			-1.54670e+02
Coefficient B			2.13840e+00
Coefficient C			-1.83724e-03
Coefficient D			6.29600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.00	J/mol×K	273.00	Calculated Property
Cp,gas	399.78	J/mol×K	353.78	Calculated Property
Cp,gas	479.31	J/mol×K	434.56	Calculated Property
Cp,gas	545.57	J/mol×K	515.33	Calculated Property
Cp,gas	600.56	J/mol×K	596.11	Calculated Property
Cp,gas	646.27	J/mol×K	676.89	Calculated Property
Cp,gas	684.68	J/mol×K	757.67	Calculated Property
Cp,gas	717.80	J/mol×K	838.44	Calculated Property
Cp,gas	747.60	J/mol×K	919.22	Calculated Property
Cp,gas	776.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031676; 0.0019849]	Pa×s	[622.78; 847.13]	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			-7.51972e+00
Coefficient B			1.09918e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			622.78
Temperature range, max.			847.13
η	0.0031676	Pa×s	622.78	Calculated Property
η	0.0029596	Pa×s	647.71	Calculated Property
η	0.0027792	Pa×s	672.64	Calculated Property
η	0.0026216	Pa×s	697.56	Calculated Property
η	0.0024828	Pa×s	722.49	Calculated Property
η	0.0023600	Pa×s	747.42	Calculated Property
η	0.0022506	Pa×s	772.35	Calculated Property
η	0.0021527	Pa×s	797.28	Calculated Property
η	0.0020645	Pa×s	822.20	Calculated Property
η	0.0019849	Pa×s	847.13	Calculated Property

Similar Compounds

Find more compounds similar to Benzo[a]pentaphene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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