Chemical Properties of Tribenzo[fgh,pqr,za1b1]trinaphthylene

InChI

InChI=1S/C36H18/c1-2-8-20-19(7-1)25-13-14-27-21-9-3-4-10-22(21)29-17-18-30-24-12-6-5-11-23(24)28-16-15-26(20)32-31(25)33(27)35(29)36(30)34(28)32/h1-18H

InChI Key

IUVKKZUCDGHBBS-UHFFFAOYSA-N

Formula

C36H18

SMILES

c1ccc2c(c1)c1ccc3c4ccccc4c4ccc5c6ccccc6c6ccc2c2c1c3c4c5c62

Molecular Weight¹

450.54

• 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	[412.12; 999.93]	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			-2.24950e+02
Coefficient B			3.06120e+00
Coefficient C			-2.97652e-03
Coefficient D			1.14020e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	412.12	J/mol×K	273.00	Calculated Property
Cp,gas	535.98	J/mol×K	353.78	Calculated Property
Cp,gas	636.80	J/mol×K	434.56	Calculated Property
Cp,gas	718.16	J/mol×K	515.33	Calculated Property
Cp,gas	783.69	J/mol×K	596.11	Calculated Property
Cp,gas	836.98	J/mol×K	676.89	Calculated Property
Cp,gas	881.65	J/mol×K	757.67	Calculated Property
Cp,gas	921.29	J/mol×K	838.44	Calculated Property
Cp,gas	959.51	J/mol×K	919.22	Calculated Property
Cp,gas	999.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1858032; 0.1946119]	Pa×s	[935.20; 1068.41]	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			-1.31155e+00
Coefficient B			-3.47440e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			935.20
Temperature range, max.			1068.41
η	0.1858032	Pa×s	935.20	Calculated Property
η	0.1868818	Pa×s	950.00	Calculated Property
η	0.1879332	Pa×s	964.80	Calculated Property
η	0.1889585	Pa×s	979.60	Calculated Property
η	0.1899587	Pa×s	994.40	Calculated Property
η	0.1909345	Pa×s	1009.20	Calculated Property
η	0.1918870	Pa×s	1024.00	Calculated Property
η	0.1928169	Pa×s	1038.81	Calculated Property
η	0.1937249	Pa×s	1053.61	Calculated Property
η	0.1946119	Pa×s	1068.41	Calculated Property

Similar Compounds

Find more compounds similar to Tribenzo[fgh,pqr,za1b1]trinaphthylene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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