Chemical Properties of Propanoic acid, 2,3-diethoxy-3-phenyl, ethyl ester, threo

InChI

InChI=1S/C15H22O4/c1-4-17-13(12-10-8-7-9-11-12)14(18-5-2)15(16)19-6-3/h7-11,13-14H,4-6H2,1-3H3/t13-,14+/m0/s1

InChI Key

DNGYVICCFFRGKH-UONOGXRCSA-N

Formula

C15H22O4

SMILES

CCOC(=O)C(OCC)C(OCC)c1ccccc1

Molecular Weight¹

266.33

• 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	[312.95; 720.85]	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			2.83930e+01
Coefficient B			1.18056e+00
Coefficient C			-5.13200e-04
Coefficient D			2.51000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	312.95	J/mol×K	273.00	Calculated Property
Cp,gas	382.93	J/mol×K	353.78	Calculated Property
Cp,gas	446.56	J/mol×K	434.56	Calculated Property
Cp,gas	503.92	J/mol×K	515.33	Calculated Property
Cp,gas	555.09	J/mol×K	596.11	Calculated Property
Cp,gas	600.15	J/mol×K	676.89	Calculated Property
Cp,gas	639.17	J/mol×K	757.67	Calculated Property
Cp,gas	672.25	J/mol×K	838.44	Calculated Property
Cp,gas	699.45	J/mol×K	919.22	Calculated Property
Cp,gas	720.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021903; 0.0000924]	Pa×s	[342.02; 609.70]	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			-1.33332e+01
Coefficient B			2.46580e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			342.02
Temperature range, max.			609.70
η	0.0021903	Pa×s	342.02	Calculated Property
η	0.0012303	Pa×s	371.76	Calculated Property
η	0.0007527	Pa×s	401.50	Calculated Property
η	0.0004928	Pa×s	431.25	Calculated Property
η	0.0003408	Pa×s	460.99	Calculated Property
η	0.0002464	Pa×s	490.73	Calculated Property
η	0.0001849	Pa×s	520.47	Calculated Property
η	0.0001431	Pa×s	550.21	Calculated Property
η	0.0001137	Pa×s	579.96	Calculated Property
η	0.0000924	Pa×s	609.70	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2,3-diethoxy-3-phenyl, ethyl ester, threo.

Sources

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

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