Chemical Properties of 4H-Cyclopenta[def]phenanthrenequinone

InChI

InChI=1S/C15H8O2/c16-14-10-5-1-3-8-7-9-4-2-6-11(15(14)17)13(9)12(8)10/h1-6H,7H2

InChI Key

AHDICIQOAZDBEN-UHFFFAOYSA-N

Formula

C15H8O2

SMILES

O=C1C(=O)c2cccc3c2-c2c(cccc21)C3

Molecular Weight¹

220.22

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	-10.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.58	kJ/mol	Joback Calculated Property
ΔvapH°	94.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-5.19		Relay (1.0) Calculated Property
logPoct/wat	2.637		Crippen Calculated Property
McVol	156.110	ml/mol	McGowan Calculated Property
Inp	[342.64; 2195.00]
Inp	2195.00		NIST
Inp	342.64		NIST
Tboil	666.42	K	Relay (1.0) Calculated Property
Tc	975.89	K	Relay (1.0) Calculated Property
Tfus	536.49	K	Relay (1.0) Calculated Property

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	[195.38; 483.06]	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			-4.55000e+01
Coefficient B			1.08000e+00
Coefficient C			-7.88840e-04
Coefficient D			2.37400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.38	J/mol×K	273.00	Calculated Property
Cp,gas	248.36	J/mol×K	353.78	Calculated Property
Cp,gas	294.34	J/mol×K	434.56	Calculated Property
Cp,gas	334.06	J/mol×K	515.33	Calculated Property
Cp,gas	368.27	J/mol×K	596.11	Calculated Property
Cp,gas	397.74	J/mol×K	676.89	Calculated Property
Cp,gas	423.20	J/mol×K	757.67	Calculated Property
Cp,gas	445.40	J/mol×K	838.44	Calculated Property
Cp,gas	465.11	J/mol×K	919.22	Calculated Property
Cp,gas	483.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4H-Cyclopenta[def]phenanthrenequinone.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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