Chemical Properties of 1-BENZYLPYRENE

InChI

InChI=1S/C23H16/c1-2-5-16(6-3-1)15-20-12-11-19-10-9-17-7-4-8-18-13-14-21(20)23(19)22(17)18/h1-14H,15H2

InChI Key

KBUVRXNOTZNAPI-UHFFFAOYSA-N

Formula

C23H16

SMILES

c1ccc(Cc2ccc3ccc4cccc5ccc2c3c45)cc1

Molecular Weight¹

292.38

• 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	[662.95; 750.15]	J/mol×K	[843.18; 1106.73]
Cp,gas	662.95	J/mol×K	843.18	Joback Calculated Property
Cp,gas	678.24	J/mol×K	887.11	Joback Calculated Property
Cp,gas	692.87	J/mol×K	931.03	Joback Calculated Property
Cp,gas	707.10	J/mol×K	974.96	Joback Calculated Property
Cp,gas	721.21	J/mol×K	1018.88	Joback Calculated Property
Cp,gas	735.47	J/mol×K	1062.81	Joback Calculated Property
Cp,gas	750.15	J/mol×K	1106.73	Joback Calculated Property
η	[0.0010357; 0.0022173]	Pa×s	[543.75; 843.18]
η	0.0022173	Pa×s	543.75	Joback Calculated Property
η	0.0018517	Pa×s	593.65	Joback Calculated Property
η	0.0015902	Pa×s	643.56	Joback Calculated Property
η	0.0013959	Pa×s	693.47	Joback Calculated Property
η	0.0012469	Pa×s	743.37	Joback Calculated Property
η	0.0011298	Pa×s	793.28	Joback Calculated Property
η	0.0010357	Pa×s	843.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-BENZYLPYRENE.

Sources

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

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