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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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
ΔfG°	-324.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-567.02	kJ/mol	Joback Calculated Property
ΔfusH°	25.67	kJ/mol	Joback Calculated Property
ΔvapH°	64.22	kJ/mol	Joback Calculated Property
log10WS	-2.49		Crippen Calculated Property
logPoct/wat	1.866		Crippen Calculated Property
McVol	171.060	ml/mol	McGowan Calculated Property
Pc	2558.51	kPa	Joback Calculated Property
Inp	[1680.00; 1680.00]
Inp	1680.00		NIST
Inp	1680.00		NIST
Tboil	663.18	K	Joback Calculated Property
Tc	875.86	K	Joback Calculated Property
Tfus	420.78	K	Joback Calculated Property
Vc	0.647	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.52; 502.86]	J/mol×K	[663.18; 875.86]
Cp,gas	435.52	J/mol×K	663.18	Joback Calculated Property
Cp,gas	448.70	J/mol×K	698.63	Joback Calculated Property
Cp,gas	461.11	J/mol×K	734.07	Joback Calculated Property
Cp,gas	472.74	J/mol×K	769.52	Joback Calculated Property
Cp,gas	483.58	J/mol×K	804.97	Joback Calculated Property
Cp,gas	493.62	J/mol×K	840.42	Joback Calculated Property
Cp,gas	502.86	J/mol×K	875.86	Joback Calculated Property
η	[0.0001481; 0.0009239]	Pa×s	[420.78; 663.18]
η	0.0009239	Pa×s	420.78	Joback Calculated Property
η	0.0005957	Pa×s	461.18	Joback Calculated Property
η	0.0004122	Pa×s	501.58	Joback Calculated Property
η	0.0003014	Pa×s	541.98	Joback Calculated Property
η	0.0002301	Pa×s	582.38	Joback Calculated Property
η	0.0001820	Pa×s	622.78	Joback Calculated Property
η	0.0001481	Pa×s	663.18	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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