Chemical Properties of 13H-Dibenz[bc,j]aceanthrylene (CAS 201-42-3)

InChI

InChI=1S/C23H14/c1-2-7-18-14(4-1)10-11-19-20(18)12-17-9-8-15-5-3-6-16-13-21(19)23(17)22(15)16/h1-12H,13H2

InChI Key

VHTSBQMSNJOJTG-UHFFFAOYSA-N

Formula

C23H14

SMILES

c1ccc2c(c1)ccc1c3c4c(ccc5cccc(c54)C3)cc12

Molecular Weight¹

290.36

CAS

201-42-3

• 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, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[268.98; 678.58]	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			-1.52140e+02
Coefficient B			1.99420e+00
Coefficient C			-1.83868e-03
Coefficient D			6.75200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	268.98	J/mol×K	273.00	Calculated Property
Cp,gas	353.13	J/mol×K	353.78	Calculated Property
Cp,gas	422.64	J/mol×K	434.56	Calculated Property
Cp,gas	479.65	J/mol×K	515.33	Calculated Property
Cp,gas	526.28	J/mol×K	596.11	Calculated Property
Cp,gas	564.67	J/mol×K	676.89	Calculated Property
Cp,gas	596.96	J/mol×K	757.67	Calculated Property
Cp,gas	625.29	J/mol×K	838.44	Calculated Property
Cp,gas	651.78	J/mol×K	919.22	Calculated Property
Cp,gas	678.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066224; 0.0057188]	Pa×s	[598.01; 785.10]	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			-5.63286e+00
Coefficient B			3.68110e+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.			598.01
Temperature range, max.			785.10
η	0.0066224	Pa×s	598.01	Calculated Property
η	0.0064868	Pa×s	618.80	Calculated Property
η	0.0063626	Pa×s	639.59	Calculated Property
η	0.0062484	Pa×s	660.37	Calculated Property
η	0.0061430	Pa×s	681.16	Calculated Property
η	0.0060454	Pa×s	701.95	Calculated Property
η	0.0059549	Pa×s	722.74	Calculated Property
η	0.0058707	Pa×s	743.53	Calculated Property
η	0.0057922	Pa×s	764.32	Calculated Property
η	0.0057188	Pa×s	785.10	Calculated Property

Similar Compounds

Find more compounds similar to 13H-Dibenz[bc,j]aceanthrylene.

Sources

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

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