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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1084.64; 1308.46]	J/mol×K	[1166.94; 1453.57]
Cp,gas	1084.64	J/mol×K	1166.94	Joback Calculated Property
Cp,gas	1112.82	J/mol×K	1214.71	Joback Calculated Property
Cp,gas	1143.93	J/mol×K	1262.48	Joback Calculated Property
Cp,gas	1178.50	J/mol×K	1310.25	Joback Calculated Property
Cp,gas	1217.07	J/mol×K	1358.02	Joback Calculated Property
Cp,gas	1260.21	J/mol×K	1405.80	Joback Calculated Property
Cp,gas	1308.46	J/mol×K	1453.57	Joback Calculated Property
η	[0.0044094; 0.0069004]	Pa×s	[803.38; 1166.94]
η	0.0069004	Pa×s	803.38	Joback Calculated Property
η	0.0062387	Pa×s	863.97	Joback Calculated Property
η	0.0057154	Pa×s	924.57	Joback Calculated Property
η	0.0052928	Pa×s	985.16	Joback Calculated Property
η	0.0049452	Pa×s	1045.75	Joback Calculated Property
η	0.0046550	Pa×s	1106.35	Joback Calculated Property
η	0.0044094	Pa×s	1166.94	Joback 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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