Chemical Properties of 1H-Tetrazole, 1-(4-nitrophenyl)- (CAS 14213-11-7)

InChI

InChI=1S/C7H5N5O2/c13-12(14)7-3-1-6(2-4-7)11-5-8-9-10-11/h1-5H

InChI Key

NHYHTYJIILODSA-UHFFFAOYSA-N

Formula

C7H5N5O2

SMILES

O=[N+]([O-])c1ccc(-n2cnnn2)cc1

Molecular Weight¹

191.15

CAS

14213-11-7

Other Names

• 1-(4-Nitrophenyl)-1h-tetrazole

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 1H-Tetrazole, 1-(4-nitrophenyl)-.

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

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