Chemical Properties of (.+/-.)-Baclofen, N-dimethylaminomethylene-, ethyl ester

InChI

InChI=1S/C15H21ClN2O2/c1-4-20-15(19)9-13(10-17-11-18(2)3)12-5-7-14(16)8-6-12/h5-8,11,13H,4,9-10H2,1-3H3

InChI Key

ZSKUIAQDRSXQEP-UHFFFAOYSA-N

Formula

C15H21ClN2O2

SMILES

CCOC(=O)CC(CN=CN(C)C)c1ccc(Cl)cc1

Molecular Weight¹

296.79

• 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 (.+/-.)-Baclofen, N-dimethylaminomethylene-, ethyl ester.

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
• Joback Method
• McGowan Method
• NIST Webbook

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