Chemical Properties of Benz[def]indeno[1,2,3-qr]chrysene

InChI

InChI=1S/C26H14/c1-2-6-18-16(5-1)13-17-10-9-15-11-12-21-19-7-3-4-8-20(19)23-14-22(18)24(17)25(15)26(21)23/h1-14H

InChI Key

FSUPSEJFXMSVMS-UHFFFAOYSA-N

Formula

C26H14

SMILES

c1ccc2c(c1)-c1ccc3ccc4cc5ccccc5c5cc-2c1c3c45

Molecular Weight¹

326.40

• 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).
• 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

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	[299.07; 737.75]	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			-1.66890e+02
Coefficient B			2.22560e+00
Coefficient C			-2.11796e-03
Coefficient D			7.97000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	299.07	J/mol×K	273.00	Calculated Property
Cp,gas	390.69	J/mol×K	353.78	Calculated Property
Cp,gas	465.71	J/mol×K	434.56	Calculated Property
Cp,gas	526.65	J/mol×K	515.33	Calculated Property
Cp,gas	576.03	J/mol×K	596.11	Calculated Property
Cp,gas	616.37	J/mol×K	676.89	Calculated Property
Cp,gas	650.19	J/mol×K	757.67	Calculated Property
Cp,gas	680.01	J/mol×K	838.44	Calculated Property
Cp,gas	708.36	J/mol×K	919.22	Calculated Property
Cp,gas	737.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0154834; 0.0150886]	Pa×s	[680.56; 849.46]	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			-4.29788e+00
Coefficient B			8.84000e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			680.56
Temperature range, max.			849.46
η	0.0154834	Pa×s	680.56	Calculated Property
η	0.0154295	Pa×s	699.33	Calculated Property
η	0.0153786	Pa×s	718.09	Calculated Property
η	0.0153305	Pa×s	736.86	Calculated Property
η	0.0152848	Pa×s	755.63	Calculated Property
η	0.0152416	Pa×s	774.39	Calculated Property
η	0.0152005	Pa×s	793.16	Calculated Property
η	0.0151614	Pa×s	811.93	Calculated Property
η	0.0151241	Pa×s	830.69	Calculated Property
η	0.0150886	Pa×s	849.46	Calculated Property

Similar Compounds

Find more compounds similar to Benz[def]indeno[1,2,3-qr]chrysene.

Sources

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

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