Chemical Properties of 4H-Dibenz[a,kl]anthracene (CAS 194-85-4)

InChI

InChI=1S/C21H14/c1-2-9-18-14(5-1)11-12-17-13-16-8-3-6-15-7-4-10-19(20(15)16)21(17)18/h1-5,7-13H,6H2

InChI Key

NUXRXCMDYFQYEQ-UHFFFAOYSA-N

Formula

C21H14

SMILES

C1=Cc2cc3ccc4ccccc4c3c3cccc(c23)C1

Molecular Weight¹

266.34

CAS

194-85-4

• 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	[248.74; 641.48]	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			-1.35640e+02
Coefficient B			1.79220e+00
Coefficient C			-1.55468e-03
Coefficient D			5.39600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	248.74	J/mol×K	273.00	Calculated Property
Cp,gas	327.71	J/mol×K	353.78	Calculated Property
Cp,gas	393.87	J/mol×K	434.56	Calculated Property
Cp,gas	448.91	J/mol×K	515.33	Calculated Property
Cp,gas	494.56	J/mol×K	596.11	Calculated Property
Cp,gas	532.51	J/mol×K	676.89	Calculated Property
Cp,gas	564.47	J/mol×K	757.67	Calculated Property
Cp,gas	592.15	J/mol×K	838.44	Calculated Property
Cp,gas	617.25	J/mol×K	919.22	Calculated Property
Cp,gas	641.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042801; 0.0016874]	Pa×s	[411.40; 741.87]	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			-7.54322e+00
Coefficient B			8.59590e+02
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.			411.40
Temperature range, max.			741.87
η	0.0042801	Pa×s	411.40	Calculated Property
η	0.0036066	Pa×s	448.12	Calculated Property
η	0.0031189	Pa×s	484.84	Calculated Property
η	0.0027529	Pa×s	521.56	Calculated Property
η	0.0024701	Pa×s	558.28	Calculated Property
η	0.0022462	Pa×s	595.00	Calculated Property
η	0.0020653	Pa×s	631.72	Calculated Property
η	0.0019165	Pa×s	668.44	Calculated Property
η	0.0017924	Pa×s	705.16	Calculated Property
η	0.0016874	Pa×s	741.87	Calculated Property

Similar Compounds

Find more compounds similar to 4H-Dibenz[a,kl]anthracene.

Sources

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

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