Chemical Properties of Dibenzo[de,mn]naphtho[2,1,8-qra]naphthacene (CAS 120835-68-9)

InChI

InChI=1S/C30H16/c1-5-17-7-3-12-23-26(17)21(9-1)16-25-22-11-4-10-20-15-19-8-2-6-18-13-14-24(29(23)25)30(27(18)19)28(20)22/h1-16H

InChI Key

UYAKCOSUNHRGHJ-UHFFFAOYSA-N

Formula

C30H16

SMILES

c1cc2cccc3c2c(c1)cc1c2cccc4cc5cccc6ccc(c13)c(c65)c42

Molecular Weight¹

376.45

CAS

120835-68-9

• 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	[345.47; 850.29]	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			-1.87670e+02
Coefficient B			2.54240e+00
Coefficient C			-2.40524e-03
Coefficient D			9.00800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.47	J/mol×K	273.00	Calculated Property
Cp,gas	450.62	J/mol×K	353.78	Calculated Property
Cp,gas	536.86	J/mol×K	434.56	Calculated Property
Cp,gas	607.04	J/mol×K	515.33	Calculated Property
Cp,gas	664.00	J/mol×K	596.11	Calculated Property
Cp,gas	710.59	J/mol×K	676.89	Calculated Property
Cp,gas	749.67	J/mol×K	757.67	Calculated Property
Cp,gas	784.08	J/mol×K	838.44	Calculated Property
Cp,gas	816.67	J/mol×K	919.22	Calculated Property
Cp,gas	850.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0277526; 0.0270293]	Pa×s	[770.86; 934.56]	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			-3.73519e+00
Coefficient B			1.16220e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			770.86
Temperature range, max.			934.56
η	0.0277526	Pa×s	770.86	Calculated Property
η	0.0276563	Pa×s	789.05	Calculated Property
η	0.0275647	Pa×s	807.24	Calculated Property
η	0.0274773	Pa×s	825.43	Calculated Property
η	0.0273941	Pa×s	843.61	Calculated Property
η	0.0273145	Pa×s	861.80	Calculated Property
η	0.0272385	Pa×s	879.99	Calculated Property
η	0.0271657	Pa×s	898.18	Calculated Property
η	0.0270961	Pa×s	916.37	Calculated Property
η	0.0270293	Pa×s	934.56	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[de,mn]naphtho[2,1,8-qra]naphthacene.

Sources

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

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