Chemical Properties of 9H-Fluorene, 3-nitro- (CAS 5397-37-5)

InChI

InChI=1S/C13H9NO2/c15-14(16)11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7H2

InChI Key

CKAGNBSBBQJLCI-UHFFFAOYSA-N

Formula

C13H9NO2

SMILES

O=[N+]([O-])c1ccc2c(c1)-c1ccccc1C2

Molecular Weight¹

211.22

CAS

5397-37-5

Other Names

• 3-Nitro-9H-fluorene
• 3-Nitrofluorene
• NSC 3016

• 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	0.6058		Relay (1.0) Calculated Property
ΔfG°	382.72	kJ/mol	Joback Calculated Property
ΔfH°gas	185.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.97	kJ/mol	Joback Calculated Property
ΔvapH°	95.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-4.77		Relay (1.0) Calculated Property
logPoct/wat	3.166		Crippen Calculated Property
McVol	153.070	ml/mol	McGowan Calculated Property
Pc	3364.54	kPa	Joback Calculated Property
Inp	[328.71; 347.86]
Inp	347.86		NIST
Inp	328.71		NIST
Inp	347.86		NIST
Tboil	648.09	K	Relay (1.0) Calculated Property
Tc	941.69	K	Relay (1.0) Calculated Property
Tfus	410.96	K	Relay (1.0) Calculated Property
Vc	0.564	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.59; 457.69]	J/mol×K	[719.85; 990.35]
Cp,gas	396.59	J/mol×K	719.85	Joback Calculated Property
Cp,gas	408.63	J/mol×K	764.93	Joback Calculated Property
Cp,gas	419.68	J/mol×K	810.02	Joback Calculated Property
Cp,gas	429.94	J/mol×K	855.10	Joback Calculated Property
Cp,gas	439.57	J/mol×K	900.18	Joback Calculated Property
Cp,gas	448.76	J/mol×K	945.26	Joback Calculated Property
Cp,gas	457.69	J/mol×K	990.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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