Chemical Properties of Dibenz[e,ghi]indeno[1,2,3,4-pqra]perylene (CAS 75449-96-6)

InChI

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

InChI Key

HSPVWCDUOWARPN-UHFFFAOYSA-N

Formula

C30H14

SMILES

c1cc2c3c(c1)cc1c4ccccc4c4ccc5ccc6ccc-2c2c6c5c4c1c32

Molecular Weight¹

374.43

CAS

75449-96-6

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[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
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 Dibenz[e,ghi]indeno[1,2,3,4-pqra]perylene.

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.