Chemical Properties of 1H-Tetrazole, 1-phenyl-

InChI

InChI=1S/C7H6N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h1-6H

InChI Key

IYPXPGSELZFFMI-UHFFFAOYSA-N

Formula

C7H6N4

SMILES

c1ccc(-n2cnnn2)cc1

Molecular Weight¹

146.15

Other Names

• 1-Phenyl-1H-tetrazole
• 1-Phenyltetrazole

• 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_vapH° : Enthalpy of vaporization 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	[-3973.90; -3956.00]	kJ/mol
ΔcH°solid	-3956.00 ± 0.40	kJ/mol	NIST
ΔcH°solid	-3973.90 ± 1.50	kJ/mol	NIST
ΔfH°gas	[448.00; 465.80]	kJ/mol
ΔfH°gas	448.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	465.80	kJ/mol	NIST
ΔfH°solid	[344.00; 361.80]	kJ/mol
ΔfH°solid	344.00 ± 0.40	kJ/mol	NIST
ΔfH°solid	361.80	kJ/mol	NIST
ΔsubH°	[104.00; 104.00]	kJ/mol
ΔsubH°	104.00 ± 3.00	kJ/mol	NIST
ΔsubH°	104.00	kJ/mol	NIST
ΔvapH°	93.95	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	0.662		Crippen Calculated Property
McVol	106.190	ml/mol	McGowan Calculated Property

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.

Similar Compounds

Find more compounds similar to 1H-Tetrazole, 1-phenyl-.

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

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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