Chemical Properties of 7-Butyl-12-methylbenz[a]anthracene (CAS 16354-51-1)

InChI

InChI=1S/C23H22/c1-3-4-10-21-20-13-8-7-11-18(20)16(2)23-19-12-6-5-9-17(19)14-15-22(21)23/h5-9,11-15H,3-4,10H2,1-2H3

InChI Key

PBRXQWATBIWVFV-UHFFFAOYSA-N

Formula

C23H22

SMILES

CCCCc1c2ccccc2c(C)c2c1ccc1ccccc12

Molecular Weight¹

298.42

CAS

16354-51-1

• 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	[737.06; 826.68]	J/mol×K	[829.18; 1068.08]
Cp,gas	737.06	J/mol×K	829.18	Joback Calculated Property
Cp,gas	753.63	J/mol×K	869.00	Joback Calculated Property
Cp,gas	769.33	J/mol×K	908.81	Joback Calculated Property
Cp,gas	784.32	J/mol×K	948.63	Joback Calculated Property
Cp,gas	798.77	J/mol×K	988.45	Joback Calculated Property
Cp,gas	812.84	J/mol×K	1028.27	Joback Calculated Property
Cp,gas	826.68	J/mol×K	1068.08	Joback Calculated Property
η	[0.0005210; 0.0014075]	Pa×s	[523.57; 829.18]
η	0.0014075	Pa×s	523.57	Joback Calculated Property
η	0.0011082	Pa×s	574.51	Joback Calculated Property
η	0.0009072	Pa×s	625.44	Joback Calculated Property
η	0.0007654	Pa×s	676.38	Joback Calculated Property
η	0.0006613	Pa×s	727.31	Joback Calculated Property
η	0.0005824	Pa×s	778.25	Joback Calculated Property
η	0.0005210	Pa×s	829.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-Butyl-12-methylbenz[a]anthracene.

Sources

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

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