Chemical Properties of Dibenzo[mn,qr]fluoreno[2,1,9,8,7-defghi]naphthacene (CAS 76759-99-4)

InChI

InChI=1S/C30H14/c1-3-15-7-9-17-11-13-19-20-14-12-18-10-8-16-4-2-6-22-24(16)26(18)29(20)30-27(22)21(5-1)23(15)25(17)28(19)30/h1-14H

InChI Key

WYWCEAIEPKOSCQ-UHFFFAOYSA-N

Formula

C30H14

SMILES

c1cc2ccc3ccc4c5c3c2c(c1)c1c2cccc3ccc6ccc-4c(c6c32)c51

Molecular Weight¹

374.43

CAS

76759-99-4

• 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	[339.54; 811.95]	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			-1.99890e+02
Coefficient B			2.62960e+00
Coefficient C			-2.68596e-03
Coefficient D			1.06820e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	339.54	J/mol×K	273.00	Calculated Property
Cp,gas	441.53	J/mol×K	353.78	Calculated Property
Cp,gas	523.26	J/mol×K	434.56	Calculated Property
Cp,gas	588.11	J/mol×K	515.33	Calculated Property
Cp,gas	639.47	J/mol×K	596.11	Calculated Property
Cp,gas	680.69	J/mol×K	676.89	Calculated Property
Cp,gas	715.18	J/mol×K	757.67	Calculated Property
Cp,gas	746.30	J/mol×K	838.44	Calculated Property
Cp,gas	777.43	J/mol×K	919.22	Calculated Property
Cp,gas	811.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.2034947; 0.2307709]	Pa×s	[828.64; 937.92]	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			-5.12563e-01
Coefficient B			-8.94560e+02
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.			828.64
Temperature range, max.			937.92
η	0.2034947	Pa×s	828.64	Calculated Property
η	0.2066923	Pa×s	840.78	Calculated Property
η	0.2098469	Pa×s	852.93	Calculated Property
η	0.2129590	Pa×s	865.07	Calculated Property
η	0.2160293	Pa×s	877.21	Calculated Property
η	0.2190582	Pa×s	889.35	Calculated Property
η	0.2220462	Pa×s	901.50	Calculated Property
η	0.2249940	Pa×s	913.64	Calculated Property
η	0.2279020	Pa×s	925.78	Calculated Property
η	0.2307709	Pa×s	937.92	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[mn,qr]fluoreno[2,1,9,8,7-defghi]naphthacene.

Sources

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

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