Chemical Properties of Naphtho[1,2-a]anthracene (CAS 195-06-2)

InChI

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

InChI Key

HAJMQPPSPOBCLG-UHFFFAOYSA-N

Formula

C22H14

SMILES

c1ccc2cc3c(ccc4ccc5ccccc5c43)cc2c1

Molecular Weight¹

278.35

CAS

195-06-2

Other Names

• 2,3:5,6-Dibenzophenanthrene
• Dibenzo[b,g]phenanthrene

• 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
ΔfH°gas	366.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.69	kJ/mol	Joback Calculated Property
ΔvapH°	126.69	kJ/mol	Relay (1.0) Calculated Property
IE	[7.11; 7.33]	eV
IE	7.33	eV	NIST
IE	7.11	eV	NIST
log10WS	-8.43		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	[485.71; 485.71]
Inp	485.71		NIST
Inp	485.71		NIST
Tboil	788.66	K	Relay (1.0) Calculated Property
Tc	1103.27	K	Relay (1.0) Calculated Property
Tfus	493.87	K	Relay (1.0) Calculated Property
Vc	0.834	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.

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	[0.0022584; 0.0012295]	Pa×s	[532.48; 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
Temperature range, min.			532.48
Temperature range, max.			763.11
η	0.0022584	Pa×s	532.48	Calculated Property
η	0.0020591	Pa×s	558.11	Calculated Property
η	0.0018927	Pa×s	583.73	Calculated Property
η	0.0017521	Pa×s	609.36	Calculated Property
η	0.0016321	Pa×s	634.98	Calculated Property
η	0.0015287	Pa×s	660.61	Calculated Property
η	0.0014389	Pa×s	686.23	Calculated Property
η	0.0013603	Pa×s	711.86	Calculated Property
η	0.0012909	Pa×s	737.48	Calculated Property
η	0.0012295	Pa×s	763.11	Calculated Property

Similar Compounds

Find more compounds similar to Naphtho[1,2-a]anthracene.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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