Chemical Properties of Dibenzo[a,c]naphthacene

InChI

InChI=1S/C26H16/c1-2-8-18-14-20-16-26-24-12-6-4-10-22(24)21-9-3-5-11-23(21)25(26)15-19(20)13-17(18)7-1/h1-16H

InChI Key

SDWITIWFFMGFHS-UHFFFAOYSA-N

Formula

C26H16

SMILES

c1ccc2cc3cc4c5ccccc5c5ccccc5c4cc3cc2c1

Molecular Weight¹

328.41

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.6745		Relay (1.0) Calculated Property
ΔfG°	775.18	kJ/mol	Joback Calculated Property
ΔfH°gas	422.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.68	kJ/mol	Joback Calculated Property
ΔvapH°	155.46	kJ/mol	Relay (1.0) Calculated Property
IE	[6.80; 7.08]	eV
IE	6.97	eV	NIST
IE	6.98	eV	NIST
IE	6.96 ± 0.04	eV	NIST
IE	7.08	eV	NIST
IE	6.80	eV	NIST
IE	6.98 ± 0.02	eV	NIST
log10WS	-10.30		Relay (1.0) Calculated Property
logPoct/wat	7.453		Crippen Calculated Property
McVol	256.140	ml/mol	McGowan Calculated Property
Pc	2032.72	kPa	Joback Calculated Property
Inp	[615.18; 615.51]
Inp	615.51		NIST
Inp	615.18		NIST
Tboil	867.78	K	Relay (1.0) Calculated Property
Tc	1201.18	K	Relay (1.0) Calculated Property
Tfus	597.89	K	Relay (1.0) Calculated Property
Vc	0.972	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[305.00; 776.09]	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			-1.54670e+02
Coefficient B			2.13840e+00
Coefficient C			-1.83724e-03
Coefficient D			6.29600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.00	J/mol×K	273.00	Calculated Property
Cp,gas	399.78	J/mol×K	353.78	Calculated Property
Cp,gas	479.31	J/mol×K	434.56	Calculated Property
Cp,gas	545.57	J/mol×K	515.33	Calculated Property
Cp,gas	600.56	J/mol×K	596.11	Calculated Property
Cp,gas	646.27	J/mol×K	676.89	Calculated Property
Cp,gas	684.68	J/mol×K	757.67	Calculated Property
Cp,gas	717.80	J/mol×K	838.44	Calculated Property
Cp,gas	747.60	J/mol×K	919.22	Calculated Property
Cp,gas	776.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031676; 0.0019849]	Pa×s	[622.78; 847.13]	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			-7.51972e+00
Coefficient B			1.09918e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			622.78
Temperature range, max.			847.13
η	0.0031676	Pa×s	622.78	Calculated Property
η	0.0029596	Pa×s	647.71	Calculated Property
η	0.0027792	Pa×s	672.64	Calculated Property
η	0.0026216	Pa×s	697.56	Calculated Property
η	0.0024828	Pa×s	722.49	Calculated Property
η	0.0023600	Pa×s	747.42	Calculated Property
η	0.0022506	Pa×s	772.35	Calculated Property
η	0.0021527	Pa×s	797.28	Calculated Property
η	0.0020645	Pa×s	822.20	Calculated Property
η	0.0019849	Pa×s	847.13	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[a,c]naphthacene.

Sources

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

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