Chemical Properties of Benz[a]anthracene, 8-propyl-

InChI

InChI=1S/C21H18/c1-2-6-15-8-5-9-17-14-21-18(13-20(15)17)12-11-16-7-3-4-10-19(16)21/h3-5,7-14H,2,6H2,1H3

InChI Key

MUVMFAXETLUFCG-UHFFFAOYSA-N

Formula

C21H18

SMILES

CCCc1cccc2cc3c(ccc4ccccc43)cc12

Molecular Weight¹

270.37

Other Names

• 5-n-Propyl-1,2-benzanthracene

• 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	[278.37; 702.74]	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			-1.01538e+02
Coefficient B			1.73032e+00
Coefficient C			-1.35884e-03
Coefficient D			4.32800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.37	J/mol×K	273.00	Calculated Property
Cp,gas	359.70	J/mol×K	353.78	Calculated Property
Cp,gas	429.30	J/mol×K	434.56	Calculated Property
Cp,gas	488.52	J/mol×K	515.33	Calculated Property
Cp,gas	538.74	J/mol×K	596.11	Calculated Property
Cp,gas	581.33	J/mol×K	676.89	Calculated Property
Cp,gas	617.66	J/mol×K	757.67	Calculated Property
Cp,gas	649.09	J/mol×K	838.44	Calculated Property
Cp,gas	676.99	J/mol×K	919.22	Calculated Property
Cp,gas	702.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015842; 0.0006879]	Pa×s	[488.51; 718.05]	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			-9.05719e+00
Coefficient B			1.27476e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			488.51
Temperature range, max.			718.05
η	0.0015842	Pa×s	488.51	Calculated Property
η	0.0013918	Pa×s	514.01	Calculated Property
η	0.0012378	Pa×s	539.52	Calculated Property
η	0.0011126	Pa×s	565.02	Calculated Property
η	0.0010093	Pa×s	590.53	Calculated Property
η	0.0009230	Pa×s	616.03	Calculated Property
η	0.0008501	Pa×s	641.54	Calculated Property
η	0.0007879	Pa×s	667.04	Calculated Property
η	0.0007344	Pa×s	692.55	Calculated Property
η	0.0006879	Pa×s	718.05	Calculated Property

Similar Compounds

Find more compounds similar to Benz[a]anthracene, 8-propyl-.

Sources

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

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