Chemical Properties of R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (desmethylene-oxo-), diethylated

InChI

InChI=1S/C17H23NO4/c1-4-21-14-9-8-13(11-15(14)22-5-2)17(20)12(3)18-10-6-7-16(18)19/h8-9,11-12H,4-7,10H2,1-3H3

InChI Key

UAOWYDHUKWDZFV-UHFFFAOYSA-N

Formula

C17H23NO4

SMILES

CCOc1ccc(C(=O)C(C)N2CCCC2=O)cc1OCC

Molecular Weight¹

305.37

• 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

Property	Value	Unit	Source
ω	0.7955		Relay (1.0) Calculated Property
ΔfG°	-202.53	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-637.43	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	97.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-2.33		Relay (1.0) Calculated Property
logPoct/wat	2.678		Crippen Calculated Property
McVol	240.630	ml/mol	McGowan Calculated Property
Pc	1402.07	kPa	Relay (1.0-beta) Calculated Property
Inp	[2325.00; 2325.00]
Inp	2325.00		NIST
Inp	2325.00		NIST
Tboil	652.89	K	Relay (1.0) Calculated Property
Tc	895.45	K	Relay (1.0) Calculated Property
Tfus	366.70	K	Relay (1.0) Calculated Property
Vc	0.884	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (desmethylene-oxo-), diethylated.

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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