Chemical Properties of 1H-1,2,4-Triazole (CAS 288-88-0)

InChI

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

InChI Key

NSPMIYGKQJPBQR-UHFFFAOYSA-N

Formula

C2H3N3

SMILES

c1nc[nH]n1

Molecular Weight¹

69.07

CAS

288-88-0

Other Names

• 1,2,4-1H-Triazole
• 1,2,4-Triazole
• 4H-1,2,4-triazole
• CGA-71019
• Pyrrodiazole
• s-Triazole

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	886.00	kJ/mol	NIST
BasG	855.90	kJ/mol	NIST
ΔcH°solid	[-1328.90; -1323.66]	kJ/mol
ΔcH°solid	-1324.40 ± 0.30	kJ/mol	NIST
ΔcH°solid	-1328.90 ± 1.20	kJ/mol	NIST
ΔcH°solid	-1323.66 ± 0.37	kJ/mol	NIST
ΔcH°solid	-1324.99 ± 0.90	kJ/mol	NIST
ΔcH°solid	-1325.00	kJ/mol	NIST
ΔfH°gas	[188.50; 193.70]	kJ/mol
ΔfH°gas	192.70 ± 0.80	kJ/mol	NIST
ΔfH°gas	193.70 ± 1.90	kJ/mol	NIST
ΔfH°gas	188.50	kJ/mol	NIST
ΔfH°gas	189.80	kJ/mol	NIST
ΔfH°solid	[107.89; 113.10]	kJ/mol
ΔfH°solid	108.70 ± 0.40	kJ/mol	NIST
ΔfH°solid	113.10 ± 1.40	kJ/mol	NIST
ΔfH°solid	107.89 ± 0.46	kJ/mol	NIST
ΔfH°solid	109.22 ± 0.94	kJ/mol	NIST
IE	[9.80; 10.60]	eV
IE	9.80	eV	NIST
IE	10.10	eV	NIST
IE	10.60	eV	NIST
IE	10.00	eV	NIST
log10WS	-0.22		Crippen Calculated Property
logPoct/wat	-0.677		Crippen Calculated Property
McVol	49.520	ml/mol	McGowan Calculated Property
Inp	[1116.00; 1116.00]
Inp	1116.00		NIST
Inp	1116.00		NIST
Tboil	[477.15; 533.20]	K
Tboil	533.20	K	NIST
Tboil	477.15 ± 1.50	K	NIST
Tfus	[295.15; 393.50]	K
Tfus	393.50 ± 0.40	K	NIST
Tfus	392.00 ± 0.50	K	NIST
Tfus	295.15 ± 1.50	K	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	78.70	J/mol×K	298.15	NIST
ΔfusH	[10.76; 16.10]	kJ/mol	[393.30; 393.50]
ΔfusH	10.76 ± 0.08	kJ/mol	393.30	NIST
ΔfusH	16.10	kJ/mol	393.50	NIST
ΔfusH	16.10	kJ/mol	393.50	NIST
ΔfusH	16.10	kJ/mol	393.50	NIST

Similar Compounds

Find more compounds similar to 1H-1,2,4-Triazole.

Mixtures

• Choline chloride + 1H-1,2,4-Triazole
• Choline chloride + Nitric oxide + 1H-1,2,4-Triazole
• 1H-1,2,4-Triazole + Ethanol
• 1-Propanol + 1H-1,2,4-Triazole
• Isopropyl Alcohol + 1H-1,2,4-Triazole
• Propylene Glycol + 1H-1,2,4-Triazole
• Ethyl formate + 1H-1,2,4-Triazole
• 1H-1,2,4-Triazole + Acetic acid, methyl ester
• 1H-1,2,4-Triazole + Ethyl Acetate
• 1H-1,2,4-Triazole + Acetic acid, butyl ester

Sources

• Crippen Method
• Crippen Method
• Calibration and test of an aneroid mini-bomb combustion calorimeter
• Calibration and testing of an isoperibolic micro-combustion calorimeter developed to measure the enthalpy of combustion of organic compounds containing C, H, O and N
• Solubilities and Thermodynamic Properties of CO2 in Four Azole-Based Deep Eutectic Solvents
• Efficient and Reversible Nitric Oxide Absorption by Low-Viscosity, Azole-Derived Deep Eutectic Solvents
• Solubility of 1H-1,2,4-Triazole in Ethanol, 1-Propanol, 2-Propanol, 1,2-Propanediol, Ethyl Formate, Methyl Acetate, Ethyl Acetate, and Butyl Acetate at (283 to 363) K
• McGowan Method
• NIST Webbook

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