Chemical Properties of 12-Ethyl-7-methylbenz[a]anthracene

InChI

InChI=1S/C21H18/c1-3-16-20-11-7-6-9-17(20)14(2)18-13-12-15-8-4-5-10-19(15)21(16)18/h4-13H,3H2,1-2H3

InChI Key

FTMBVQWARWOALX-UHFFFAOYSA-N

Formula

C21H18

SMILES

CCc1c2ccccc2c(C)c2ccc3ccccc3c12

Molecular Weight¹

270.37

Other Names

• 12-Ethyl-7-methylbenz(a)anthracene
• Benz(a)anthracene, 12-ethyl-7-methyl-

• 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	[280.92; 699.70]	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			-8.72390e+01
Coefficient B			1.67084e+00
Coefficient C			-1.29180e-03
Coefficient D			4.07900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.92	J/mol×K	273.00	Calculated Property
Cp,gas	360.25	J/mol×K	353.78	Calculated Property
Cp,gas	428.36	J/mol×K	434.56	Calculated Property
Cp,gas	486.56	J/mol×K	515.33	Calculated Property
Cp,gas	536.13	J/mol×K	596.11	Calculated Property
Cp,gas	578.36	J/mol×K	676.89	Calculated Property
Cp,gas	614.55	J/mol×K	757.67	Calculated Property
Cp,gas	645.97	J/mol×K	838.44	Calculated Property
Cp,gas	673.92	J/mol×K	919.22	Calculated Property
Cp,gas	699.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014719; 0.0006970]	Pa×s	[501.03; 722.05]	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			-8.96319e+00
Coefficient B			1.22350e+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.			501.03
Temperature range, max.			722.05
η	0.0014719	Pa×s	501.03	Calculated Property
η	0.0013132	Pa×s	525.59	Calculated Property
η	0.0011835	Pa×s	550.15	Calculated Property
η	0.0010763	Pa×s	574.70	Calculated Property
η	0.0009863	Pa×s	599.26	Calculated Property
η	0.0009102	Pa×s	623.82	Calculated Property
η	0.0008450	Pa×s	648.38	Calculated Property
η	0.0007888	Pa×s	672.94	Calculated Property
η	0.0007399	Pa×s	697.50	Calculated Property
η	0.0006970	Pa×s	722.05	Calculated Property

Similar Compounds

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

Sources

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

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