Chemical Properties of 9H-Fluoren-9-one, 3-nitro- (CAS 42135-22-8)

InChI

InChI=1S/C13H7NO3/c15-13-10-4-2-1-3-9(10)12-7-8(14(16)17)5-6-11(12)13/h1-7H

InChI Key

GLVSVKSIYXDZHY-UHFFFAOYSA-N

Formula

C13H7NO3

SMILES

O=C1c2ccccc2-c2cc([N+](=O)[O-])ccc21

Molecular Weight¹

225.20

CAS

42135-22-8

Other Names

• 3-Nitrofluorenone
• 3-Nitro-9-fluorenone
• 9-Fluorenone, 3-nitro
• 3-nitrofluoren-9-one

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6706		Relay (1.0) Calculated Property
ΔfG°	260.13	kJ/mol	Joback Calculated Property
ΔfH°gas	45.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.48	kJ/mol	Joback Calculated Property
ΔvapH°	104.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-4.42		Relay (1.0) Calculated Property
logPoct/wat	2.806		Crippen Calculated Property
McVol	154.640	ml/mol	McGowan Calculated Property
Pc	3505.43	kPa	Joback Calculated Property
Inp	[355.07; 363.40]
Inp	355.07		NIST
Inp	355.53		NIST
Inp	363.40		NIST
Inp	355.07		NIST
Inp	363.40		NIST
Tboil	647.97	K	Relay (1.0) Calculated Property
Tc	974.79	K	Relay (1.0) Calculated Property
Tfus	457.77	K	Relay (1.0) Calculated Property
Vc	0.571	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[414.34; 470.32]	J/mol×K	[787.67; 1067.93]
Cp,gas	414.34	J/mol×K	787.67	Joback Calculated Property
Cp,gas	425.55	J/mol×K	834.38	Joback Calculated Property
Cp,gas	435.83	J/mol×K	881.09	Joback Calculated Property
Cp,gas	445.32	J/mol×K	927.80	Joback Calculated Property
Cp,gas	454.14	J/mol×K	974.51	Joback Calculated Property
Cp,gas	462.43	J/mol×K	1021.22	Joback Calculated Property
Cp,gas	470.32	J/mol×K	1067.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9H-Fluoren-9-one, 3-nitro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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