Chemical Properties of 1H-1,2,3-Triazole (CAS 288-36-8)

InChI

InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)

InChI Key

QWENRTYMTSOGBR-UHFFFAOYSA-N

Formula

C2H3N3

SMILES

c1c[nH]nn1

Molecular Weight¹

69.07

CAS

288-36-8

Other Names

• V-triazole
• Osotriazole
• Pyrrodiazole
• Triazacyclopentadiene
• 1,2,3-Triazole

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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	0.3262		Relay (1.0) Calculated Property
PAff	879.30	kJ/mol	NIST
BasG	847.40	kJ/mol	NIST
ΔfG°	271.18	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	255.50	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	65.07	kJ/mol	Relay (1.0) Calculated Property
IE	[10.06; 10.10]	eV
IE	10.10	eV	NIST
IE	10.06	eV	NIST
log10WS	1.82		Relay (1.0) Calculated Property
logPoct/wat	-0.677		Crippen Calculated Property
McVol	49.520	ml/mol	McGowan Calculated Property
Pc	7471.15	kPa	Relay (1.0-beta) Calculated Property
Tboil	553.74	K	Relay (1.0) Calculated Property
Tc	686.48	K	Relay (1.0) Calculated Property
Tfus	408.41	K	Relay (1.0) Calculated Property
Vc	0.198	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1H-1,2,3-Triazole.

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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