Chemical Properties of Fenproporex-M (desamino-oxo-HO-methoxy), AC

InChI

InChI=1S/C12H14O4/c1-8(13)6-10-4-5-11(16-9(2)14)7-12(10)15-3/h4-5,7H,6H2,1-3H3

InChI Key

SOLHVFDPMCUTMO-UHFFFAOYSA-N

Formula

C12H14O4

SMILES

COc1cc(OC(C)=O)ccc1CC(C)=O

Molecular Weight¹

222.24

• 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).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[240.56; 529.44]	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			4.49410e+01
Coefficient B			7.99960e-01
Coefficient C			-3.01820e-04
Coefficient D			-1.36400e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.56	J/mol×K	273.00	Calculated Property
Cp,gas	289.57	J/mol×K	353.78	Calculated Property
Cp,gas	334.45	J/mol×K	434.56	Calculated Property
Cp,gas	375.17	J/mol×K	515.33	Calculated Property
Cp,gas	411.67	J/mol×K	596.11	Calculated Property
Cp,gas	443.91	J/mol×K	676.89	Calculated Property
Cp,gas	471.85	J/mol×K	757.67	Calculated Property
Cp,gas	495.45	J/mol×K	838.44	Calculated Property
Cp,gas	514.66	J/mol×K	919.22	Calculated Property
Cp,gas	529.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011364; 0.0001712]	Pa×s	[390.95; 599.21]	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			-1.22262e+01
Coefficient B			2.12926e+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.			390.95
Temperature range, max.			599.21
η	0.0011364	Pa×s	390.95	Calculated Property
η	0.0008382	Pa×s	414.09	Calculated Property
η	0.0006385	Pa×s	437.23	Calculated Property
η	0.0004999	Pa×s	460.37	Calculated Property
η	0.0004006	Pa×s	483.51	Calculated Property
η	0.0003276	Pa×s	506.65	Calculated Property
η	0.0002727	Pa×s	529.79	Calculated Property
η	0.0002305	Pa×s	552.93	Calculated Property
η	0.0001974	Pa×s	576.07	Calculated Property
η	0.0001712	Pa×s	599.21	Calculated Property

Similar Compounds

Find more compounds similar to Fenproporex-M (desamino-oxo-HO-methoxy), AC.

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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