Chemical Properties of R,S-4'-Methoxy-«alpha»-pyrrolidinopropiophenone-M (desmethyl-3-methoxy-), ethylated

InChI

InChI=1S/C16H23NO3/c1-4-20-14-8-7-13(11-15(14)19-3)16(18)12(2)17-9-5-6-10-17/h7-8,11-12H,4-6,9-10H2,1-3H3

InChI Key

NORMSIYETVUKMK-UHFFFAOYSA-N

Formula

C16H23NO3

SMILES

CCOc1ccc(C(=O)C(C)N2CCCC2)cc1OC

Molecular Weight¹

277.36

Other Names

• R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (desmethylene-3-methyl-), ethylated

• 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	0.7051		Relay (1.0) Calculated Property
ΔfG°	-80.41	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-435.14	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.73	kJ/mol	Relay (1.0) Calculated Property
IE	7.39	eV	Relay (1.0) Calculated Property
log10WS	-1.91		Relay (1.0) Calculated Property
logPoct/wat	2.761		Crippen Calculated Property
McVol	224.970	ml/mol	McGowan Calculated Property
Pc	1525.99	kPa	Relay (1.0-beta) Calculated Property
Inp	[2135.00; 2135.00]
Inp	2135.00		NIST
Inp	2135.00		NIST
Inp	2135.00		NIST
Tboil	622.07	K	Relay (1.0) Calculated Property
Tc	836.51	K	Relay (1.0) Calculated Property
Tfus	384.50	K	Relay (1.0) Calculated Property
Vc	0.817	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to R,S-4'-Methoxy-«alpha»-pyrrolidinopropiophenone-M (desmethyl-3-methoxy-), ethylated.

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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