Chemical Properties of Dibenzo(h,rst)pentaphene (CAS 192-47-2)

InChI

InChI=1S/C28H16/c1-3-9-19-17(7-1)15-25-21-11-5-6-12-22(21)26-16-18-8-2-4-10-20(18)24-14-13-23(19)27(25)28(24)26/h1-16H

InChI Key

LMNAZSSKDBUVFA-UHFFFAOYSA-N

Formula

C28H16

SMILES

c1ccc2c(c1)cc1c3ccccc3c3cc4ccccc4c4ccc2c1c43

Molecular Weight¹

352.43

CAS

192-47-2

Other Names

• Tribenzo(a,e,i)pyrene
• (1,2:4,5:7,8)-Tribenzopyrene

• 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).
• 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	468.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.46	kJ/mol	Joback Calculated Property
ΔvapH°	167.01	kJ/mol	Relay (1.0) Calculated Property
IE	[6.99; 7.38]	eV
IE	6.99	eV	NIST
IE	7.38	eV	NIST
IE	7.17	eV	NIST
log10WS	-10.83		Relay (1.0) Calculated Property
logPoct/wat	8.044		Crippen Calculated Property
McVol	269.160	ml/mol	McGowan Calculated Property
Pc	1947.51	kPa	Joback Calculated Property
Tboil	902.02	K	Relay (1.0) Calculated Property
Tc	1268.20	K	Relay (1.0) Calculated Property
Tfus	608.00 ± 1.00	K	NIST
Vc	1.045	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	[325.23; 813.19]	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			-1.71170e+02
Coefficient B			2.34040e+00
Coefficient C			-2.12124e-03
Coefficient D			7.65200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	325.23	J/mol×K	273.00	Calculated Property
Cp,gas	425.20	J/mol×K	353.78	Calculated Property
Cp,gas	508.08	J/mol×K	434.56	Calculated Property
Cp,gas	576.30	J/mol×K	515.33	Calculated Property
Cp,gas	632.28	J/mol×K	596.11	Calculated Property
Cp,gas	678.43	J/mol×K	676.89	Calculated Property
Cp,gas	717.18	J/mol×K	757.67	Calculated Property
Cp,gas	750.94	J/mol×K	838.44	Calculated Property
Cp,gas	782.14	J/mol×K	919.22	Calculated Property
Cp,gas	813.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0097975; 0.0071353]	Pa×s	[608.00; 890.49]	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			-5.62513e+00
Coefficient B			6.07700e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			608.00
Temperature range, max.			890.49
η	0.0097975	Pa×s	608.00	Calculated Property
η	0.0093284	Pa×s	639.39	Calculated Property
η	0.0089226	Pa×s	670.77	Calculated Property
η	0.0085685	Pa×s	702.16	Calculated Property
η	0.0082570	Pa×s	733.55	Calculated Property
η	0.0079810	Pa×s	764.94	Calculated Property
η	0.0077350	Pa×s	796.32	Calculated Property
η	0.0075144	Pa×s	827.71	Calculated Property
η	0.0073155	Pa×s	859.10	Calculated Property
η	0.0071353	Pa×s	890.49	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo(h,rst)pentaphene.

Sources

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

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