Chemical Properties of Benzene, 1-azido-3-methyl- (CAS 4113-72-8)

InChI

InChI=1S/C7H7N3/c1-6-3-2-4-7(5-6)9-10-8/h2-5H,1H3

InChI Key

WRMGCIOUNQGMSR-UHFFFAOYSA-N

Formula

C7H7N3

SMILES

Cc1cccc(N=[N+]=[N-])c1

Molecular Weight¹

133.15

CAS

4113-72-8

Other Names

• Toluene, m-azido-
• m-Azidotoluene
• m-Tolyl azide
• 1-Azido-3-methylbenzene
• 3-Methylphenyl azide

• 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_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzene, 1-azido-3-methyl-.

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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