Chemical Properties of Benzo[a]heptacene

InChI

InChI=1S/C34H20/c1-2-7-23-12-26-15-29-18-31-19-32-20-34-24(10-9-21-5-3-4-8-33(21)34)13-27(32)16-30(31)17-28(29)14-25(26)11-22(23)6-1/h1-20H

InChI Key

NIVXIAXHQGEHBQ-UHFFFAOYSA-N

Formula

C34H20

SMILES

c1ccc2cc3cc4cc5cc6cc7c(ccc8ccccc87)cc6cc5cc4cc3cc2c1

Molecular Weight¹

428.53

• 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	[397.81; 1001.17]	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			-1.96230e+02
Coefficient B			2.77200e+00
Coefficient C			-2.41180e-03
Coefficient D			8.37200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.81	J/mol×K	273.00	Calculated Property
Cp,gas	519.65	J/mol×K	353.78	Calculated Property
Cp,gas	621.62	J/mol×K	434.56	Calculated Property
Cp,gas	706.35	J/mol×K	515.33	Calculated Property
Cp,gas	776.50	J/mol×K	596.11	Calculated Property
Cp,gas	834.72	J/mol×K	676.89	Calculated Property
Cp,gas	883.64	J/mol×K	757.67	Calculated Property
Cp,gas	925.93	J/mol×K	838.44	Calculated Property
Cp,gas	964.22	J/mol×K	919.22	Calculated Property
Cp,gas	1001.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0069004; 0.0050992]	Pa×s	[803.38; 1017.50]	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			-6.41363e+00
Coefficient B			1.15482e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			803.38
Temperature range, max.			1017.50
η	0.0069004	Pa×s	803.38	Calculated Property
η	0.0066209	Pa×s	827.17	Calculated Property
η	0.0063675	Pa×s	850.96	Calculated Property
η	0.0061367	Pa×s	874.75	Calculated Property
η	0.0059259	Pa×s	898.54	Calculated Property
η	0.0057327	Pa×s	922.33	Calculated Property
η	0.0055550	Pa×s	946.12	Calculated Property
η	0.0053912	Pa×s	969.92	Calculated Property
η	0.0052397	Pa×s	993.71	Calculated Property
η	0.0050992	Pa×s	1017.50	Calculated Property

Similar Compounds

Find more compounds similar to Benzo[a]heptacene.

Sources

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

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