Chemical Properties of Tetrabenzo[de,jk,op,uv]pentacene (CAS 109587-17-9)

InChI

InChI=1S/C34H18/c1-5-19-13-14-20-6-2-10-24-28-18-30-26-12-4-8-22-16-15-21-7-3-11-25(33(21)34(22)26)29(30)17-27(28)23(9-1)31(19)32(20)24/h1-18H

InChI Key

ZHRFYICOTBZCLJ-UHFFFAOYSA-N

Formula

C34H18

SMILES

c1cc2ccc3cccc4c5cc6c(cc5c(c1)c2c34)c1cccc2ccc3cccc6c3c21

Molecular Weight¹

426.51

CAS

109587-17-9

• 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	[391.88; 962.83]	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			-2.08450e+02
Coefficient B			2.85920e+00
Coefficient C			-2.69252e-03
Coefficient D			1.00460e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.88	J/mol×K	273.00	Calculated Property
Cp,gas	510.56	J/mol×K	353.78	Calculated Property
Cp,gas	608.02	J/mol×K	434.56	Calculated Property
Cp,gas	687.43	J/mol×K	515.33	Calculated Property
Cp,gas	751.97	J/mol×K	596.11	Calculated Property
Cp,gas	804.82	J/mol×K	676.89	Calculated Property
Cp,gas	849.15	J/mol×K	757.67	Calculated Property
Cp,gas	888.15	J/mol×K	838.44	Calculated Property
Cp,gas	924.98	J/mol×K	919.22	Calculated Property
Cp,gas	962.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0486510; 0.0473905]	Pa×s	[861.16; 1021.48]	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			-3.19035e+00
Coefficient B			1.44040e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			861.16
Temperature range, max.			1021.48
η	0.0486510	Pa×s	861.16	Calculated Property
η	0.0484864	Pa×s	878.97	Calculated Property
η	0.0483288	Pa×s	896.79	Calculated Property
η	0.0481779	Pa×s	914.60	Calculated Property
η	0.0480331	Pa×s	932.41	Calculated Property
η	0.0478942	Pa×s	950.23	Calculated Property
η	0.0477608	Pa×s	968.04	Calculated Property
η	0.0476326	Pa×s	985.85	Calculated Property
η	0.0475092	Pa×s	1003.66	Calculated Property
η	0.0473905	Pa×s	1021.48	Calculated Property

Similar Compounds

Find more compounds similar to Tetrabenzo[de,jk,op,uv]pentacene.

Sources

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

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