Chemical Properties of 1,2,5-Oxadiazole (CAS 288-37-9)

InChI

InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H

InChI Key

JKFAIQOWCVVSKC-UHFFFAOYSA-N

Formula

C2H2N2O

SMILES

c1cnon1

Molecular Weight¹

70.05

CAS

288-37-9

Other Names

• Furazan
• Azoxazole
• 1-Oxa-2,5-diazacyclopentadiene

• 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	0.3353		Relay (... Calculated Property
ΔfG°	218.89	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	194.58	kJ/mol	Relay (... Calculated Property
ΔvapH°	46.21	kJ/mol	Relay (... Calculated Property
IE	10.91	eV	Relay (... Calculated Property
log10WS	0.93		Relay (... Calculated Property
logPoct/wat	0.070		Crippen Calculated Property
McVol	45.410	ml/mol	McGowan Calculated Property
Pc	7326.24	kPa	Relay (... Calculated Property ⚠️
Inp	[646.00; 646.00]
Inp	646.00		NIST
Inp	646.00		NIST
Tboil	408.21	K	Relay (... Calculated Property
Tc	571.55	K	Relay (... Calculated Property
Tfus	317.76	K	Relay (... Calculated Property
Vc	0.181	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1,2,5-Oxadiazole.

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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