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

InChI

InChI=1S/C12H14O4/c1-4-16-10-6-5-9(7-11(10)15-3)12(14)8(2)13/h5-7H,4H2,1-3H3

InChI Key

PFGFBGCGXNIEJR-UHFFFAOYSA-N

Formula

C12H14O4

SMILES

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

Molecular Weight¹

222.24

Other Names

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.67	kJ/mol	Joback Calculated Property
log10WS	-2.54		Relay (1.0) Calculated Property
logPoct/wat	1.866		Crippen Calculated Property
McVol	171.060	ml/mol	McGowan Calculated Property
Inp	[1680.00; 1680.00]
Inp	1680.00		NIST
Inp	1680.00		NIST
Tboil	577.64	K	Relay (1.0) Calculated Property
Tfus	365.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.60; 502.93]	J/mol×K	[663.38; 876.13]
Cp,gas	435.60	J/mol×K	663.38	Joback Calculated Property
Cp,gas	448.78	J/mol×K	698.84	Joback Calculated Property
Cp,gas	461.19	J/mol×K	734.30	Joback Calculated Property
Cp,gas	472.81	J/mol×K	769.75	Joback Calculated Property
Cp,gas	483.65	J/mol×K	805.21	Joback Calculated Property
Cp,gas	493.69	J/mol×K	840.67	Joback Calculated Property
Cp,gas	502.93	J/mol×K	876.13	Joback Calculated Property
η	[0.0001479; 0.0009239]	Pa×s	[420.78; 663.38]
η	0.0009239	Pa×s	420.78	Joback Calculated Property
η	0.0005955	Pa×s	461.21	Joback Calculated Property
η	0.0004120	Pa×s	501.65	Joback Calculated Property
η	0.0003012	Pa×s	542.08	Joback Calculated Property
η	0.0002299	Pa×s	582.51	Joback Calculated Property
η	0.0001818	Pa×s	622.95	Joback Calculated Property
η	0.0001479	Pa×s	663.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to R,S-4'-Methoxy-«alpha»-pyrrolidinopropiophenone-M (desmethyl-3-methoxy-desamino-oxo-), 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
• Joback Method
• McGowan Method
• NIST Webbook

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