Chemical Properties of DIBENZ[A,E]ACEANTHRYLENE

InChI

InChI=1S/C24H14/c1-3-9-17-15(7-1)13-22-19-11-5-6-12-20(19)23-18-10-4-2-8-16(18)14-21(17)24(22)23/h1-14H

InChI Key

JHOWUOKQHJHGMU-UHFFFAOYSA-N

Formula

C24H14

SMILES

c1ccc2c(c1)-c1cc3ccccc3c3cc4ccccc4c-2c13

Molecular Weight¹

302.38

Other Names

• 2,3,5,6-Dibenzofluoranthene
• Dibenzo(a,e)fluoranthene

• 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_fusH : Enthalpy of fusion at a given temperature (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
ΔfH°gas	440.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.47	kJ/mol	Joback Calculated Property
ΔvapH°	138.68	kJ/mol	Relay (1.0) Calculated Property
IE	7.10	eV	Relay (1.0) Calculated Property
log10WS	-9.36		Relay (1.0) Calculated Property
logPoct/wat	6.794		Crippen Calculated Property
McVol	232.260	ml/mol	McGowan Calculated Property
Pc	2241.88	kPa	Joback Calculated Property
Inp	[535.27; 540.77]
Inp	535.27		NIST
Inp	540.77		NIST
Tboil	813.96	K	Relay (1.0) Calculated Property
Tc	1156.46	K	Relay (1.0) Calculated Property
Tfus	505.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.914	m3/kmol	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.83; 700.65]	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			-1.50390e+02
Coefficient B			2.02360e+00
Coefficient C			-1.83396e-03
Coefficient D			6.61400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.83	J/mol×K	273.00	Calculated Property
Cp,gas	365.26	J/mol×K	353.78	Calculated Property
Cp,gas	436.93	J/mol×K	434.56	Calculated Property
Cp,gas	495.91	J/mol×K	515.33	Calculated Property
Cp,gas	544.31	J/mol×K	596.11	Calculated Property
Cp,gas	584.21	J/mol×K	676.89	Calculated Property
Cp,gas	617.70	J/mol×K	757.67	Calculated Property
Cp,gas	646.87	J/mol×K	838.44	Calculated Property
Cp,gas	673.83	J/mol×K	919.22	Calculated Property
Cp,gas	700.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064068; 0.0041735]	Pa×s	[505.15; 806.15]	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			-6.19833e+00
Coefficient B			5.79880e+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.			505.15
Temperature range, max.			806.15
η	0.0064068	Pa×s	505.15	Calculated Property
η	0.0059660	Pa×s	538.59	Calculated Property
η	0.0056021	Pa×s	572.04	Calculated Property
η	0.0052970	Pa×s	605.48	Calculated Property
η	0.0050380	Pa×s	638.93	Calculated Property
η	0.0048156	Pa×s	672.37	Calculated Property
η	0.0046228	Pa×s	705.82	Calculated Property
η	0.0044541	Pa×s	739.26	Calculated Property
η	0.0043055	Pa×s	772.70	Calculated Property
η	0.0041735	Pa×s	806.15	Calculated Property

Similar Compounds

Find more compounds similar to DIBENZ[A,E]ACEANTHRYLENE.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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