Chemical Properties of 4H-Dibenzo[a,de]pentacene

InChI

InChI=1S/C29H18/c1-2-7-19-13-23-16-27-24(15-22(23)12-18(19)6-1)17-28-25-10-4-3-8-20(25)14-21-9-5-11-26(27)29(21)28/h1-13,15-17H,14H2

InChI Key

BZZXPEWKRBRGLZ-UHFFFAOYSA-N

Formula

C29H18

SMILES

c1ccc2c(c1)Cc1cccc3c1c-2cc1cc2cc4ccccc4cc2cc13

Molecular Weight¹

366.46

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, 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	[341.56; 866.56]	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			-1.77200e+02
Coefficient B			2.42580e+00
Coefficient C			-2.12924e-03
Coefficient D			7.47200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	341.56	J/mol×K	273.00	Calculated Property
Cp,gas	447.59	J/mol×K	353.78	Calculated Property
Cp,gas	536.18	J/mol×K	434.56	Calculated Property
Cp,gas	609.70	J/mol×K	515.33	Calculated Property
Cp,gas	670.50	J/mol×K	596.11	Calculated Property
Cp,gas	720.96	J/mol×K	676.89	Calculated Property
Cp,gas	763.43	J/mol×K	757.67	Calculated Property
Cp,gas	800.28	J/mol×K	838.44	Calculated Property
Cp,gas	833.87	J/mol×K	919.22	Calculated Property
Cp,gas	866.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061882; 0.0046121]	Pa×s	[704.57; 910.66]	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			-6.38410e+00
Coefficient B			9.15230e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			704.57
Temperature range, max.			910.66
η	0.0061882	Pa×s	704.57	Calculated Property
η	0.0059403	Pa×s	727.47	Calculated Property
η	0.0057165	Pa×s	750.37	Calculated Property
η	0.0055137	Pa×s	773.27	Calculated Property
η	0.0053292	Pa×s	796.16	Calculated Property
η	0.0051607	Pa×s	819.06	Calculated Property
η	0.0050062	Pa×s	841.96	Calculated Property
η	0.0048642	Pa×s	864.86	Calculated Property
η	0.0047332	Pa×s	887.76	Calculated Property
η	0.0046121	Pa×s	910.66	Calculated Property

Similar Compounds

Find more compounds similar to 4H-Dibenzo[a,de]pentacene.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.