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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[279.80; 715.14]	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			-1.34799e+02
Coefficient B			1.91660e+00
Coefficient C			-1.60436e-03
Coefficient D			5.37700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	279.80	J/mol×K	273.00	Calculated Property
Cp,gas	366.26	J/mol×K	353.78	Calculated Property
Cp,gas	439.23	J/mol×K	434.56	Calculated Property
Cp,gas	500.41	J/mol×K	515.33	Calculated Property
Cp,gas	551.50	J/mol×K	596.11	Calculated Property
Cp,gas	594.20	J/mol×K	676.89	Calculated Property
Cp,gas	630.22	J/mol×K	757.67	Calculated Property
Cp,gas	661.25	J/mol×K	838.44	Calculated Property
Cp,gas	688.99	J/mol×K	919.22	Calculated Property
Cp,gas	715.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064957; 0.0011699]	Pa×s	[362.15; 774.90]	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			-8.25494e+00
Coefficient B			1.16552e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			362.15
Temperature range, max.			774.90
η	0.0064957	Pa×s	362.15	Calculated Property
η	0.0045240	Pa×s	408.01	Calculated Property
η	0.0033898	Pa×s	453.87	Calculated Property
η	0.0026781	Pa×s	499.73	Calculated Property
η	0.0022013	Pa×s	545.59	Calculated Property
η	0.0018653	Pa×s	591.45	Calculated Property
η	0.0016187	Pa×s	637.32	Calculated Property
η	0.0014317	Pa×s	683.18	Calculated Property
η	0.0012860	Pa×s	729.04	Calculated Property
η	0.0011699	Pa×s	774.90	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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