Chemical Properties of 3-Phenylpropionic acid, 4-methoxy-2-methylbutyl ester

InChI

InChI=1S/C15H22O3/c1-13(10-11-17-2)12-18-15(16)9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3

InChI Key

WPOYFKUIUGDUNE-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

COCCC(C)COC(=O)CCc1ccccc1

Molecular Weight¹

250.33

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, 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	[297.86; 701.82]	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			4.57500e+00
Coefficient B			1.23784e+00
Coefficient C			-6.21000e-04
Coefficient D			8.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	297.86	J/mol×K	273.00	Calculated Property
Cp,gas	368.33	J/mol×K	353.78	Calculated Property
Cp,gas	431.81	J/mol×K	434.56	Calculated Property
Cp,gas	488.56	J/mol×K	515.33	Calculated Property
Cp,gas	538.82	J/mol×K	596.11	Calculated Property
Cp,gas	582.86	J/mol×K	676.89	Calculated Property
Cp,gas	620.92	J/mol×K	757.67	Calculated Property
Cp,gas	653.27	J/mol×K	838.44	Calculated Property
Cp,gas	680.15	J/mol×K	919.22	Calculated Property
Cp,gas	701.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025096; 0.0001251]	Pa×s	[334.79; 592.94]	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			-1.28752e+01
Coefficient B			2.30589e+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.			334.79
Temperature range, max.			592.94
η	0.0025096	Pa×s	334.79	Calculated Property
η	0.0014573	Pa×s	363.47	Calculated Property
η	0.0009163	Pa×s	392.16	Calculated Property
η	0.0006138	Pa×s	420.84	Calculated Property
η	0.0004327	Pa×s	449.52	Calculated Property
η	0.0003181	Pa×s	478.21	Calculated Property
η	0.0002421	Pa×s	506.89	Calculated Property
η	0.0001898	Pa×s	535.57	Calculated Property
η	0.0001525	Pa×s	564.25	Calculated Property
η	0.0001251	Pa×s	592.94	Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylpropionic acid, 4-methoxy-2-methylbutyl ester.

Sources

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

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