Chemical Properties of Dibenzo[fg,st]hexacene (CAS 313-97-3)

InChI

InChI=1S/C32H18/c1-3-9-23-19(7-1)15-21-17-29-28-14-6-12-26-24-10-4-2-8-20(24)16-22(32(26)28)18-30(29)27-13-5-11-25(23)31(21)27/h1-18H

InChI Key

JEMVEIWDDNPRDI-UHFFFAOYSA-N

Formula

C32H18

SMILES

c1ccc2c(c1)cc1cc3c(cc4cc5ccccc5c5cccc3c45)c3cccc2c13

Molecular Weight¹

402.49

CAS

313-97-3

• 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	[371.64; 925.73]	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			-1.91950e+02
Coefficient B			2.65720e+00
Coefficient C			-2.40852e-03
Coefficient D			8.69000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.64	J/mol×K	273.00	Calculated Property
Cp,gas	485.14	J/mol×K	353.78	Calculated Property
Cp,gas	579.24	J/mol×K	434.56	Calculated Property
Cp,gas	656.69	J/mol×K	515.33	Calculated Property
Cp,gas	720.25	J/mol×K	596.11	Calculated Property
Cp,gas	772.66	J/mol×K	676.89	Calculated Property
Cp,gas	816.66	J/mol×K	757.67	Calculated Property
Cp,gas	855.00	J/mol×K	838.44	Calculated Property
Cp,gas	890.45	J/mol×K	919.22	Calculated Property
Cp,gas	925.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0140531; 0.0120208]	Pa×s	[787.12; 975.93]	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			-5.07231e+00
Coefficient B			6.35520e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			787.12
Temperature range, max.			975.93
η	0.0140531	Pa×s	787.12	Calculated Property
η	0.0137616	Pa×s	808.10	Calculated Property
η	0.0134904	Pa×s	829.08	Calculated Property
η	0.0132376	Pa×s	850.06	Calculated Property
η	0.0130014	Pa×s	871.03	Calculated Property
η	0.0127802	Pa×s	892.01	Calculated Property
η	0.0125727	Pa×s	912.99	Calculated Property
η	0.0123776	Pa×s	933.97	Calculated Property
η	0.0121940	Pa×s	954.95	Calculated Property
η	0.0120208	Pa×s	975.93	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[fg,st]hexacene.

Sources

• Cheméo Relay (1.0)
• 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.