Chemical Properties of 3-Nitrobenzanthrone

InChI

InChI=1S/C17H9NO3/c19-17-12-5-2-1-4-10(12)11-8-9-15(18(20)21)13-6-3-7-14(17)16(11)13/h1-9H

InChI Key

QAJOWHGESRCVLY-UHFFFAOYSA-N

Formula

C17H9NO3

SMILES

O=C1c2ccccc2-c2ccc([N+](=O)[O-])c3cccc1c23

Molecular Weight¹

275.26

• 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).
• 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_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, Enthalpy of vaporization at standard conditions, 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	[238.42; 571.26]	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			-5.86400e+01
Coefficient B			1.34696e+00
Coefficient C			-1.03476e-03
Coefficient D			3.17700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.42	J/mol×K	273.00	Calculated Property
Cp,gas	302.44	J/mol×K	353.78	Calculated Property
Cp,gas	357.36	J/mol×K	434.56	Calculated Property
Cp,gas	404.17	J/mol×K	515.33	Calculated Property
Cp,gas	443.89	J/mol×K	596.11	Calculated Property
Cp,gas	477.53	J/mol×K	676.89	Calculated Property
Cp,gas	506.08	J/mol×K	757.67	Calculated Property
Cp,gas	530.54	J/mol×K	838.44	Calculated Property
Cp,gas	551.94	J/mol×K	919.22	Calculated Property
Cp,gas	571.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Nitrobenzanthrone.

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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