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

• 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	185.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.97	kJ/mol	Joback Calculated Property
ΔvapH°	94.74	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
Inp	[328.71; 347.86]
Inp	347.86		NIST
Inp	328.71		NIST
Tboil	648.09	K	Relay (1.0) Calculated Property
Tc	942.36	K	Relay (1.0) Calculated Property
Tfus	408.47	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.65; 457.75]	J/mol×K	[720.05; 990.62]
Cp,gas	396.65	J/mol×K	720.05	Joback Calculated Property
Cp,gas	408.68	J/mol×K	765.15	Joback Calculated Property
Cp,gas	419.74	J/mol×K	810.24	Joback Calculated Property
Cp,gas	429.99	J/mol×K	855.34	Joback Calculated Property
Cp,gas	439.63	J/mol×K	900.43	Joback Calculated Property
Cp,gas	448.82	J/mol×K	945.53	Joback Calculated Property
Cp,gas	457.75	J/mol×K	990.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9H-Fluorene, 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

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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