Chemical Properties of Carbamazepine, M(HO-methoxy-ring), AC

InChI

InChI=1S/C18H16N2O4/c1-11(21)24-15-6-8-17-13(10-15)4-3-12-9-14(23-2)5-7-16(12)20(17)18(19)22/h3-10H,1-2H3,(H2,19,22)

InChI Key

YCSYLXNGAOQDNA-UHFFFAOYSA-N

Formula

C18H16N2O4

SMILES

COc1ccc2c(c1)C=Cc1cc(OC(C)=O)ccc1N2C(N)=O

Molecular Weight¹

324.33

• 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).
• I_np : Non-polar retention indices.
• 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 Carbamazepine, M(HO-methoxy-ring), AC.

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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