Chemical Properties of 9H-Fluorene, 2-nitro- (CAS 607-57-8)

InChI

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

InChI Key

XFOHWECQTFIEIX-UHFFFAOYSA-N

Formula

C13H9NO2

SMILES

O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2

Molecular Weight¹

211.22

CAS

607-57-8

Other Names

• 2-nitro-9H-fluorene
• 2-nitrofluorene
• Fluorene, 2-nitro-

• 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_subH : Enthalpy of sublimation at a given temperature (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	182.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.97	kJ/mol	Joback Calculated Property
ΔvapH°	95.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-4.72		Aq. Solubility Prediction
logPoct/wat	3.166		Crippen Calculated Property
McVol	153.070	ml/mol	McGowan Calculated Property
Inp	[350.98; 2102.00]
Inp	2102.00		NIST
Inp	2087.00		NIST
Inp	2066.00		NIST
Inp	2102.00		NIST
Inp	351.77		NIST
Inp	350.98		NIST
Inp	353.06		NIST
Inp	352.17		NIST
Inp	352.12		NIST
Inp	352.22		NIST
Inp	352.60		NIST
Inp	352.42		NIST
Inp	353.06		NIST
Inp	359.10		NIST
Inp	2102.00		NIST
Inp	2066.00		NIST
Inp	359.10		NIST
Tboil	647.22	K	Relay (1.0) Calculated Property
Tc	941.20	K	Relay (1.0) Calculated Property
Tfus	[429.65; 429.89]	K
Tfus	429.89	K	Experimental and computational study of the thermodynamic properties of 2-nitrofluorene and 2-aminofluorene
Tfus	429.65	K	Aq. Solubility Prediction

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
ΔsubH	114.20 ± 3.00	kJ/mol	366.50	NIST

Similar Compounds

Find more compounds similar to 9H-Fluorene, 2-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
• Experimental and computational study of the thermodynamic properties of 2-nitrofluorene and 2-aminofluorene
• Determination of sublimation enthalpies of substituted benzophenones, fluorenes and diphenyl ethers by solution calorimetry approach
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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