Chemical Properties of 2,5-Dinitrofluorene (CAS 15110-74-4)

InChI

InChI=1S/C13H8N2O4/c16-14(17)10-4-5-11-9(7-10)6-8-2-1-3-12(13(8)11)15(18)19/h1-5,7H,6H2

InChI Key

XHAHNUAISBGLEX-UHFFFAOYSA-N

Formula

C13H8N2O4

SMILES

O=[N+]([O-])c1ccc2c(c1)Cc1cccc([N+](=O)[O-])c1-2

Molecular Weight¹

256.21

CAS

15110-74-4

Other Names

• Fluorene, 2,5-dinitro-
• 9H-Fluorene, 2,5-dinitro-
• 2,5-Dinitro-9H-fluorene

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	186.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.94	kJ/mol	Joback Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-5.02		Relay (1.0) Calculated Property
logPoct/wat	3.074		Crippen Calculated Property
McVol	170.490	ml/mol	McGowan Calculated Property
Inp	[430.32; 430.32]
Inp	430.32		NIST
Inp	430.32		NIST
Tboil	654.38	K	Relay (1.0) Calculated Property
Tfus	422.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[477.18; 535.31]	J/mol×K	[876.67; 1162.30]
Cp,gas	477.18	J/mol×K	876.67	Joback Calculated Property
Cp,gas	487.43	J/mol×K	924.27	Joback Calculated Property
Cp,gas	497.17	J/mol×K	971.88	Joback Calculated Property
Cp,gas	506.63	J/mol×K	1019.48	Joback Calculated Property
Cp,gas	515.99	J/mol×K	1067.09	Joback Calculated Property
Cp,gas	525.49	J/mol×K	1114.69	Joback Calculated Property
Cp,gas	535.31	J/mol×K	1162.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dinitrofluorene.

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.
These property values are available through the Cheméo API. A free account gives you an access key.