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

• 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	0.4490		Relay (1.0) Calculated Property
ΔfG°	281.02	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	250.16	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.14	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
Pc	4074.15	kPa	Relay (1.0-beta) Calculated Property
Inp	[278.75; 1653.00]
Inp	Outlier 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
Tboil	595.62	K	Relay (1.0) Calculated Property
Tc	858.89	K	Relay (1.0) Calculated Property
Tfus	333.93	K	Relay (1.0) Calculated Property
Vc	0.512	m3/kmol	Relay (1.0) Calculated Property

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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.