Chemical Properties of Propionylecgonine methyl ester (CAS 203320-37-0)

InChI

InChI=1S/C13H21NO4/c1-4-11(15)18-10-7-8-5-6-9(14(8)2)12(10)13(16)17-3/h8-10,12H,4-7H2,1-3H3

InChI Key

UXYJUSKBVTXLNE-UHFFFAOYSA-N

Formula

C13H21NO4

SMILES

CCC(=O)OC1CC2CCC(C1C(=O)OC)N2C

Molecular Weight¹

255.31

CAS

203320-37-0

Other Names

• Methyl 8-methyl-3-(propionyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate, [1R-(exo,exo)]-
• Methyl ecgonine, propanoate
• 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 8-methyl-3-(1-oxopropoxy)-, methyl ester, [1R-(exo,exo)]-

• 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 Propionylecgonine methyl 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
• McGowan Method
• NIST Webbook

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