Chemical Properties of Benzo[rst]pentaphene-5,8-dione

InChI

InChI=1S/C24H14O2/c25-23-17-7-3-1-5-13(17)15-9-10-16-14-6-2-4-8-18(14)24(26)20-12-11-19(23)21(15)22(16)20/h1-13,17H

InChI Key

FMVVSOMDKCGKDW-UHFFFAOYSA-N

Formula

C24H14O2

SMILES

O=C1c2ccccc2-c2ccc3c4c(ccc1c24)C(=O)C1C=CC=CC31

Molecular Weight¹

334.37

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[303.94; 780.91]	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			-1.09810e+02
Coefficient B			1.86500e+00
Coefficient C			-1.39468e-03
Coefficient D			4.20400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	303.94	J/mol×K	273.00	Calculated Property
Cp,gas	394.04	J/mol×K	353.78	Calculated Property
Cp,gas	471.77	J/mol×K	434.56	Calculated Property
Cp,gas	538.44	J/mol×K	515.33	Calculated Property
Cp,gas	595.39	J/mol×K	596.11	Calculated Property
Cp,gas	643.96	J/mol×K	676.89	Calculated Property
Cp,gas	685.46	J/mol×K	757.67	Calculated Property
Cp,gas	721.24	J/mol×K	838.44	Calculated Property
Cp,gas	752.61	J/mol×K	919.22	Calculated Property
Cp,gas	780.91	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzo[rst]pentaphene-5,8-dione.

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.
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