Chemical Properties of 5-Carbethoxy-4-oxo-1,3,3a,7-tetrazaindene (CAS 89977-78-6)

InChI

InChI=1S/C8H8N4O3/c1-2-15-7(14)5-3-9-8-10-4-11-12(8)6(5)13/h3-4H,2H2,1H3,(H,9,10,11)

InChI Key

JPAVBMQNWIVDPU-UHFFFAOYSA-N

Formula

C8H8N4O3

SMILES

CCOC(=O)c1c[nH]c2ncnn2c1=O

Molecular Weight¹

208.17

CAS

89977-78-6

• 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 5-Carbethoxy-4-oxo-1,3,3a,7-tetrazaindene.

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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