Chemical Properties of Dibenzofuran, 3-nitro- (CAS 5410-97-9)

InChI

InChI=1S/C12H7NO3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H

InChI Key

UVFAHDAUVZRVCC-UHFFFAOYSA-N

Formula

C12H7NO3

SMILES

O=[N+]([O-])c1ccc2c(c1)oc1ccccc12

Molecular Weight¹

213.19

CAS

5410-97-9

Other Names

• 3-Nitrodibenzofuran

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.6224		Relay (... Calculated Property
ΔfG°	233.62	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	47.80	kJ/mol	Relay (... Calculated Property
ΔvapH°	97.21	kJ/mol	Relay (... Calculated Property
IE	8.51	eV	Relay (... Calculated Property
log10WS	-4.59		Relay (... Calculated Property
logPoct/wat	3.494		Crippen Calculated Property
McVol	144.850	ml/mol	McGowan Calculated Property
Pc	3384.51	kPa	Relay (... Calculated Property ⚠️
Inp	[333.80; 336.00]
Inp	333.92		NIST
Inp	333.80		NIST
Inp	336.00		NIST
Inp	336.00		NIST
Tboil	636.75	K	Relay (... Calculated Property
Tc	956.96	K	Relay (... Calculated Property
Tfus	434.23	K	Relay (... Calculated Property
Vc	0.546	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Dibenzofuran, 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
• McGowan Method
• NIST Webbook

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