Chemical Properties of Benzo[a]pyrene, 7-amino

InChI

InChI=1S/C20H13N/c21-18-11-14-10-13-4-1-2-6-15(13)16-9-8-12-5-3-7-17(18)19(12)20(14)16/h1-11H,21H2

InChI Key

BJHPDTFXCVOKGZ-UHFFFAOYSA-N

Formula

C20H13N

SMILES

Nc1cc2cc3ccccc3c3ccc4cccc1c4c23

Molecular Weight¹

267.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• 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	[575.81; 656.00]	J/mol×K	[844.35; 1111.66]
Cp,gas	575.81	J/mol×K	844.35	Joback Calculated Property
Cp,gas	588.94	J/mol×K	888.90	Joback Calculated Property
Cp,gas	601.78	J/mol×K	933.45	Joback Calculated Property
Cp,gas	614.61	J/mol×K	978.00	Joback Calculated Property
Cp,gas	627.74	J/mol×K	1022.55	Joback Calculated Property
Cp,gas	641.43	J/mol×K	1067.11	Joback Calculated Property
Cp,gas	656.00	J/mol×K	1111.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzo[a]pyrene, 7-amino.

Sources

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

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