Chemical Properties of BENZO[A]NAPHTHACENE

InChI

InChI=1S/C22H14/c1-2-7-17-12-20-14-22-18(13-19(20)11-16(17)6-1)10-9-15-5-3-4-8-21(15)22/h1-14H

InChI Key

JTRPLRMCBJSBJV-UHFFFAOYSA-N

Formula

C22H14

SMILES

c1ccc2cc3cc4c(ccc5ccccc54)cc3cc2c1

Molecular Weight¹

278.35

• 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).
• 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	0.6044		Relay (1.0) Calculated Property
ΔfH°gas	358.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.69	kJ/mol	Joback Calculated Property
ΔvapH°	131.60	kJ/mol	Relay (1.0) Calculated Property
IE	[6.74; 7.06]	eV
IE	6.97 ± 0.02	eV	NIST
IE	7.00	eV	NIST
IE	7.06 ± 0.04	eV	NIST
IE	7.03	eV	NIST
IE	6.74	eV	NIST
log10WS	-8.98		Relay (1.0) Calculated Property
logPoct/wat	6.299		Crippen Calculated Property
McVol	219.240	ml/mol	McGowan Calculated Property
Pc	2347.36	kPa	Joback Calculated Property
Inp	[477.70; 500.00]
Inp	500.00		NIST
Inp	477.70		NIST
Inp	480.10		NIST
Tboil	797.04	K	Relay (1.0) Calculated Property
Tc	1105.98	K	Relay (1.0) Calculated Property
Tfus	537.00 ± 4.00	K	NIST
Vc	0.839	m3/kmol	Relay (1.0) Calculated Property

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	[258.59; 663.55]	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			-1.33890e+02
Coefficient B			1.82160e+00
Coefficient C			-1.54996e-03
Coefficient D			5.25800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	258.59	J/mol×K	273.00	Calculated Property
Cp,gas	339.84	J/mol×K	353.78	Calculated Property
Cp,gas	408.15	J/mol×K	434.56	Calculated Property
Cp,gas	465.18	J/mol×K	515.33	Calculated Property
Cp,gas	512.59	J/mol×K	596.11	Calculated Property
Cp,gas	552.04	J/mol×K	676.89	Calculated Property
Cp,gas	585.20	J/mol×K	757.67	Calculated Property
Cp,gas	613.73	J/mol×K	838.44	Calculated Property
Cp,gas	639.29	J/mol×K	919.22	Calculated Property
Cp,gas	663.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022205; 0.0012295]	Pa×s	[537.00; 763.11]	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			-8.10511e+00
Coefficient B			1.07136e+03
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.			537.00
Temperature range, max.			763.11
η	0.0022205	Pa×s	537.00	Calculated Property
η	0.0020311	Pa×s	562.12	Calculated Property
η	0.0018720	Pa×s	587.25	Calculated Property
η	0.0017370	Pa×s	612.37	Calculated Property
η	0.0016213	Pa×s	637.49	Calculated Property
η	0.0015212	Pa×s	662.62	Calculated Property
η	0.0014340	Pa×s	687.74	Calculated Property
η	0.0013574	Pa×s	712.86	Calculated Property
η	0.0012897	Pa×s	737.99	Calculated Property
η	0.0012295	Pa×s	763.11	Calculated Property

Similar Compounds

Find more compounds similar to BENZO[A]NAPHTHACENE.

Sources

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

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