Chemical Properties of 1,8-Naphthyridine (CAS 254-60-4)

InChI

InChI=1S/C8H6N2/c1-3-7-4-2-6-10-8(7)9-5-1/h1-6H

InChI Key

FLBAYUMRQUHISI-UHFFFAOYSA-N

Formula

C8H6N2

SMILES

c1cnc2ncccc2c1

Molecular Weight¹

130.15

CAS

254-60-4

Other Names

• 1,8-Diazanaphthalene
• 1,8-Pyridopyridine

• 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).
• 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	0.3758		Relay (1.0) Calculated Property
ΔfG°	287.60	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	248.44	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	61.70	kJ/mol	Relay (1.0) Calculated Property
IE	[8.80; 9.20]	eV
IE	8.80	eV	NIST
IE	9.20	eV	NIST
log10WS	-1.29		Relay (1.0) Calculated Property
logPoct/wat	1.630		Crippen Calculated Property
McVol	100.320	ml/mol	McGowan Calculated Property
Pc	5766.79	kPa	Relay (1.0-beta) Calculated Property
Tboil	531.47	K	Relay (1.0) Calculated Property
Tc	790.22	K	Relay (1.0) Calculated Property
Tfus	329.93	K	Relay (1.0) Calculated Property
Vc	0.372	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,8-Naphthyridine.

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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