Chemical Properties of 3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-nitro- (CAS 932-64-9)

InChI

InChI=1S/C2H2N4O3/c7-2-3-1(4-5-2)6(8)9/h(H2,3,4,5,7)

InChI Key

QJTIRVUEVSKJTK-UHFFFAOYSA-N

Formula

C2H2N4O3

SMILES

O=[N+]([O-])c1nc(O)n[nH]1

Molecular Weight¹

130.06

CAS

932-64-9

Other Names

• s-Triazol-3-ol, 5-nitro-
• 5-Nitro-2,4-dihydro-(1,2,4)triazol-3-one
• 1,2-dihydro-5-nitro-3H-1,2,4-triazol-3-one

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-943.40 ± 1.00	kJ/mol	NIST
ΔfH°solid	[-129.40; -101.00]	kJ/mol
ΔfH°solid	-129.40 ± 1.10	kJ/mol	NIST
ΔfH°solid	-101.00 ± 13.00	kJ/mol	NIST
logPoct/wat	-1.063		Crippen Calculated Property
McVol	72.810	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-nitro-.

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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