Chemical Properties of 5H-Indeno[1,2-b]pyridine (CAS 244-99-5)

InChI

InChI=1S/C12H9N/c1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11/h1-7H,8H2

InChI Key

FWEHZHRUCQRSJP-UHFFFAOYSA-N

Formula

C12H9N

SMILES

c1ccc2c(c1)Cc1cccnc1-2

Molecular Weight¹

167.21

CAS

244-99-5

Other Names

• 4-Azafluorene
• 5H-Indeno[1.2-b]pyridine

• 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).
• 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	250.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	74.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-2.75		Relay (1.0) Calculated Property
logPoct/wat	2.653		Crippen Calculated Property
McVol	131.540	ml/mol	McGowan Calculated Property
Inp	[278.75; 1653.00]
Inp	1653.00		NIST
Inp	279.54		NIST
Inp	278.75		NIST
Inp	279.44		NIST
Inp	279.85		NIST
Inp	279.31		NIST
Inp	279.85		NIST
Inp	1653.00		NIST
Tboil	595.62	K	Relay (1.0) Calculated Property
Tc	859.64	K	Relay (1.0) Calculated Property
Tfus	329.83	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.

Similar Compounds

Find more compounds similar to 5H-Indeno[1,2-b]pyridine.

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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