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

InChI

InChI=1S/C11H12O3/c1-3-14-10-6-4-9(5-7-10)11(13)8(2)12/h4-7H,3H2,1-2H3

InChI Key

SETGTABDCSJQPU-UHFFFAOYSA-N

Formula

C11H12O3

SMILES

CCOc1ccc(C(=O)C(C)=O)cc1

Molecular Weight¹

192.21

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.38; 461.80]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.35010e+01
Coefficient B			7.91240e-01
Coefficient C			-3.90360e-04
Coefficient D			4.74200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.38	J/mol×K	273.00	Calculated Property
Cp,gas	246.67	J/mol×K	353.78	Calculated Property
Cp,gas	287.52	J/mol×K	434.56	Calculated Property
Cp,gas	324.08	J/mol×K	515.33	Calculated Property
Cp,gas	356.50	J/mol×K	596.11	Calculated Property
Cp,gas	384.93	J/mol×K	676.89	Calculated Property
Cp,gas	409.53	J/mol×K	757.67	Calculated Property
Cp,gas	430.44	J/mol×K	838.44	Calculated Property
Cp,gas	447.82	J/mol×K	919.22	Calculated Property
Cp,gas	461.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015551; 0.0002459]	Pa×s	[374.76; 581.74]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16504e+01
Coefficient B			1.94283e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			374.76
Temperature range, max.			581.74
η	0.0015551	Pa×s	374.76	Calculated Property
η	0.0011524	Pa×s	397.76	Calculated Property
η	0.0008824	Pa×s	420.76	Calculated Property
η	0.0006946	Pa×s	443.75	Calculated Property
η	0.0005598	Pa×s	466.75	Calculated Property
η	0.0004604	Pa×s	489.75	Calculated Property
η	0.0003854	Pa×s	512.75	Calculated Property
η	0.0003275	Pa×s	535.75	Calculated Property
η	0.0002821	Pa×s	558.74	Calculated Property
η	0.0002459	Pa×s	581.74	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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