Chemical Properties of 7-Butylbenz[a]anthracene (CAS 18868-65-0)

InChI

InChI=1S/C22H20/c1-2-3-10-20-19-12-7-5-9-17(19)15-22-18-11-6-4-8-16(18)13-14-21(20)22/h4-9,11-15H,2-3,10H2,1H3

InChI Key

BIOVWIBRVOHDTA-UHFFFAOYSA-N

Formula

C22H20

SMILES

CCCCc1c2ccccc2cc2c1ccc1ccccc12

Molecular Weight¹

284.39

CAS

18868-65-0

• 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	[681.57; 768.76]	J/mol×K	[801.32; 1043.67]
Cp,gas	681.57	J/mol×K	801.32	Joback Calculated Property
Cp,gas	697.89	J/mol×K	841.71	Joback Calculated Property
Cp,gas	713.25	J/mol×K	882.10	Joback Calculated Property
Cp,gas	727.85	J/mol×K	922.50	Joback Calculated Property
Cp,gas	741.85	J/mol×K	962.89	Joback Calculated Property
Cp,gas	755.42	J/mol×K	1003.28	Joback Calculated Property
Cp,gas	768.76	J/mol×K	1043.67	Joback Calculated Property
η	[0.0005546; 0.0015546]	Pa×s	[499.78; 801.32]
η	0.0015546	Pa×s	499.78	Joback Calculated Property
η	0.0012104	Pa×s	550.04	Joback Calculated Property
η	0.0009827	Pa×s	600.29	Joback Calculated Property
η	0.0008240	Pa×s	650.55	Joback Calculated Property
η	0.0007086	Pa×s	700.81	Joback Calculated Property
η	0.0006218	Pa×s	751.06	Joback Calculated Property
η	0.0005546	Pa×s	801.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-Butylbenz[a]anthracene.

Sources

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

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