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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[299.59; 754.33]	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			-1.02447e+02
Coefficient B			1.82532e+00
Coefficient C			-1.41324e-03
Coefficient D			4.44700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.59	J/mol×K	273.00	Calculated Property
Cp,gas	386.12	J/mol×K	353.78	Calculated Property
Cp,gas	460.37	J/mol×K	434.56	Calculated Property
Cp,gas	523.75	J/mol×K	515.33	Calculated Property
Cp,gas	577.65	J/mol×K	596.11	Calculated Property
Cp,gas	623.49	J/mol×K	676.89	Calculated Property
Cp,gas	662.67	J/mol×K	757.67	Calculated Property
Cp,gas	696.60	J/mol×K	838.44	Calculated Property
Cp,gas	726.69	J/mol×K	919.22	Calculated Property
Cp,gas	754.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015546; 0.0006541]	Pa×s	[499.78; 730.75]	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			-9.20561e+00
Coefficient B			1.36892e+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.			499.78
Temperature range, max.			730.75
η	0.0015546	Pa×s	499.78	Calculated Property
η	0.0013599	Pa×s	525.44	Calculated Property
η	0.0012045	Pa×s	551.11	Calculated Property
η	0.0010785	Pa×s	576.77	Calculated Property
η	0.0009748	Pa×s	602.43	Calculated Property
η	0.0008884	Pa×s	628.10	Calculated Property
η	0.0008155	Pa×s	653.76	Calculated Property
η	0.0007535	Pa×s	679.43	Calculated Property
η	0.0007002	Pa×s	705.09	Calculated Property
η	0.0006541	Pa×s	730.75	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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