Chemical Properties of 1H-Tetrazole, 1,5-dimethyl-

InChI

InChI=1S/C3H6N4/c1-3-4-5-6-7(3)2/h1-2H3

InChI Key

HWHNFJYQDMSYAF-UHFFFAOYSA-N

Formula

C3H6N4

SMILES

Cc1nnnn1C

Molecular Weight¹

98.11

Other Names

• 1,5-Dimethyltetrazole
• 1,5-dimethyl-1H-tetrazole

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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°liquid	-2224.20 ± 2.60	kJ/mol	NIST
ΔcH°solid	-2226.70 ± 3.60	kJ/mol	NIST
ΔfH°gas	273.20 ± 2.90	kJ/mol	NIST
ΔfH°liquid	186.10 ± 2.70	kJ/mol	NIST
ΔfH°solid	188.60	kJ/mol	NIST
ΔvapH°	[87.10; 87.10]	kJ/mol
ΔvapH°	87.10 ± 1.00	kJ/mol	NIST
ΔvapH°	87.10	kJ/mol	NIST
ΔvapH°	87.10 ± 1.00	kJ/mol	NIST
ΔvapH°	87.10	kJ/mol	NIST
logPoct/wat	-0.481		Crippen Calculated Property
McVol	73.590	ml/mol	McGowan Calculated Property
Ttriple	[349.00; 350.00]	K
Ttriple	349.00 ± 1.00	K	NIST
Ttriple	350.00 ± 1.00	K	NIST
Ttriple	349.00 ± 1.00	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[14.70; 14.70]	kJ/mol	[349.00; 349.00]
ΔfusH	14.70	kJ/mol	349.00	NIST
ΔfusH	14.70	kJ/mol	349.00	NIST
ΔfusH	14.70	kJ/mol	349.00	NIST
ΔsubH	86.20 ± 1.00	kJ/mol	323.00	NIST

Similar Compounds

Find more compounds similar to 1H-Tetrazole, 1,5-dimethyl-.

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

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.
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