Chemical Properties of 1H-Tetrazol-5-amine, 1-methyl- (CAS 5422-44-6)

InChI

InChI=1S/C2H5N5/c1-7-2(3)4-5-6-7/h1H3,(H2,3,4,6)

InChI Key

GTKOKCQMHAGFSM-UHFFFAOYSA-N

Formula

C2H5N5

SMILES

Cn1[nH]nnc1=N

Molecular Weight¹

99.09

CAS

5422-44-6

Other Names

• 5-Amino-1-methyl-1H-tetrazole
• 1-Methyl-5-aminotetrazole

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-1695.20; -1683.80]	kJ/mol
ΔcH°solid	-1683.80 ± 1.10	kJ/mol	NIST
ΔcH°solid	-1695.20 ± 0.46	kJ/mol	NIST
ΔfH°gas	[302.40; 313.20]	kJ/mol
ΔfH°gas	302.40 ± 2.80	kJ/mol	NIST
ΔfH°gas	313.20	kJ/mol	NIST
ΔfH°solid	[182.20; 193.00]	kJ/mol
ΔfH°solid	182.20 ± 4.50	kJ/mol	NIST
ΔfH°solid	193.00	kJ/mol	NIST
ΔsubH°	[120.20; 120.20]	kJ/mol
ΔsubH°	120.20 ± 1.70	kJ/mol	NIST
ΔsubH°	120.20	kJ/mol	NIST
logPoct/wat	-1.859		Crippen Calculated Property
McVol	69.480	ml/mol	McGowan Calculated Property
Ttriple	504.00 ± 1.00	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 1H-Tetrazol-5-amine, 1-methyl-.

Sources

• 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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