Chemical Properties of 1-Benzylpyrene (CAS 42211-34-7)

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

292.37

CAS

42211-34-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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	[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

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

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