Chemical Properties of 1,2-bis-(1-Pyrrolidinyl)-1-buten-3-one

InChI

InChI=1S/C12H20N2O/c1-10(15)12(14-7-2-3-8-14)9-11-5-4-6-13-11/h9,11,13H,2-8H2,1H3/b12-9-

InChI Key

KIELAOHVFOBDLD-XFXZXTDPSA-N

Formula

C12H20N2O

SMILES

CC(=O)C(=CC1CCCN1)N1CCCC1

Molecular Weight¹

208.30

• 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 : 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 1,2-bis-(1-Pyrrolidinyl)-1-buten-3-one.

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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