Chemical Properties of 1-Acenaphthenone, 3-nitro- (CAS 5386-10-7)

InChI

InChI=1S/C12H7NO3/c14-11-6-9-10(13(15)16)5-4-7-2-1-3-8(11)12(7)9/h1-5H,6H2

InChI Key

DDKYJYHIQUTGRS-UHFFFAOYSA-N

Formula

C12H7NO3

SMILES

O=C1Cc2c([N+](=O)[O-])ccc3cccc1c23

Molecular Weight¹

213.19

CAS

5386-10-7

Other Names

• 3-Nitroacenaphthenone-1

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

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[182.17; 436.65]	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			-3.96100e+01
Coefficient B			1.00076e+00
Coefficient C			-7.52200e-04
Coefficient D			2.27700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.17	J/mol×K	273.00	Calculated Property
Cp,gas	230.37	J/mol×K	353.78	Calculated Property
Cp,gas	271.92	J/mol×K	434.56	Calculated Property
Cp,gas	307.52	J/mol×K	515.33	Calculated Property
Cp,gas	337.89	J/mol×K	596.11	Calculated Property
Cp,gas	363.77	J/mol×K	676.89	Calculated Property
Cp,gas	385.86	J/mol×K	757.67	Calculated Property
Cp,gas	404.89	J/mol×K	838.44	Calculated Property
Cp,gas	421.58	J/mol×K	919.22	Calculated Property
Cp,gas	436.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Acenaphthenone, 3-nitro-.

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

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