Chemical Properties of 1,2,4-Triazine

InChI

InChI=1S/C3H3N3/c1-2-5-6-3-4-1/h1-3H

InChI Key

FYADHXFMURLYQI-UHFFFAOYSA-N

Formula

C3H3N3

SMILES

c1cnncn1

Molecular Weight¹

81.08

Other Names

• as-Triazine

• Δ_fH°_gas : Enthalpy of formation 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	295.62	kJ/mol	Relay (1.0) Calculated Property
IE	[9.20; 9.61]	eV
IE	9.20	eV	NIST
IE	9.61	eV	NIST
log10WS	1.55		Relay (1.0) Calculated Property
logPoct/wat	-0.128		Crippen Calculated Property
McVol	59.310	ml/mol	McGowan Calculated Property
Tboil	451.94	K	Relay (1.0) Calculated Property
Tfus	330.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1,2,4-Triazine.

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.