Chemical Properties of Triazole, 3h-1,2,4-,5-amino-3-anilino-

InChI

InChI=1S/C8H9N5/c9-7-11-8(13-12-7)10-6-4-2-1-3-5-6/h1-5,8,10H,(H2,9,11)

InChI Key

HPJAVIXGHSANOQ-UHFFFAOYSA-N

Formula

C8H9N5

SMILES

NC1=NC(Nc2ccccc2)N=N1

Molecular Weight¹

175.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.15; 467.97]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.28700e+01
Coefficient B			8.83640e-01
Coefficient C			-3.43800e-04
Coefficient D			-2.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.15	J/mol×K	273.00	Calculated Property
Cp,gas	225.43	J/mol×K	353.78	Calculated Property
Cp,gas	273.82	J/mol×K	434.56	Calculated Property
Cp,gas	317.23	J/mol×K	515.33	Calculated Property
Cp,gas	355.57	J/mol×K	596.11	Calculated Property
Cp,gas	388.74	J/mol×K	676.89	Calculated Property
Cp,gas	416.66	J/mol×K	757.67	Calculated Property
Cp,gas	439.23	J/mol×K	838.44	Calculated Property
Cp,gas	456.37	J/mol×K	919.22	Calculated Property
Cp,gas	467.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Triazole, 3h-1,2,4-,5-amino-3-anilino-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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