Chemical Properties of 7,12-Diethylbenz[a]anthracene

InChI

InChI=1S/C22H20/c1-3-16-19-11-7-8-12-20(19)17(4-2)22-18-10-6-5-9-15(18)13-14-21(16)22/h5-14H,3-4H2,1-2H3

InChI Key

CIFPUMMYFBMFKK-UHFFFAOYSA-N

Formula

C22H20

SMILES

CCc1c2ccccc2c(CC)c2c1ccc1ccccc12

Molecular Weight¹

284.40

Other Names

• 9,10-Diethyl-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	[302.14; 751.29]	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			-8.81480e+01
Coefficient B			1.76584e+00
Coefficient C			-1.34620e-03
Coefficient D			4.19800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	302.14	J/mol×K	273.00	Calculated Property
Cp,gas	386.67	J/mol×K	353.78	Calculated Property
Cp,gas	459.44	J/mol×K	434.56	Calculated Property
Cp,gas	521.79	J/mol×K	515.33	Calculated Property
Cp,gas	575.04	J/mol×K	596.11	Calculated Property
Cp,gas	620.52	J/mol×K	676.89	Calculated Property
Cp,gas	659.56	J/mol×K	757.67	Calculated Property
Cp,gas	693.48	J/mol×K	838.44	Calculated Property
Cp,gas	723.62	J/mol×K	919.22	Calculated Property
Cp,gas	751.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014451; 0.0006633]	Pa×s	[512.30; 734.74]	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			-9.11161e+00
Coefficient B			1.31766e+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.			512.30
Temperature range, max.			734.74
η	0.0014451	Pa×s	512.30	Calculated Property
η	0.0012838	Pa×s	537.02	Calculated Property
η	0.0011524	Pa×s	561.73	Calculated Property
η	0.0010439	Pa×s	586.45	Calculated Property
η	0.0009533	Pa×s	611.16	Calculated Property
η	0.0008766	Pa×s	635.88	Calculated Property
η	0.0008112	Pa×s	660.60	Calculated Property
η	0.0007549	Pa×s	685.31	Calculated Property
η	0.0007060	Pa×s	710.03	Calculated Property
η	0.0006633	Pa×s	734.74	Calculated Property

Similar Compounds

Find more compounds similar to 7,12-Diethylbenz[a]anthracene.

Sources

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

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