Chemical Properties of Diethylmalonic acid, ethyl 2-ethylphenyl ester

InChI

InChI=1S/C17H24O4/c1-5-13-11-9-10-12-14(13)21-16(19)17(6-2,7-3)15(18)20-8-4/h9-12H,5-8H2,1-4H3

InChI Key

RZMYBIADDPHQNK-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

CCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1CC

Molecular Weight¹

292.37

• 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).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[342.62; 792.49]	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			-5.82600e+00
Coefficient B			1.49668e+00
Coefficient C			-8.47760e-04
Coefficient D			1.49400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	342.62	J/mol×K	273.00	Calculated Property
Cp,gas	424.18	J/mol×K	353.78	Calculated Property
Cp,gas	496.73	J/mol×K	434.56	Calculated Property
Cp,gas	560.77	J/mol×K	515.33	Calculated Property
Cp,gas	616.76	J/mol×K	596.11	Calculated Property
Cp,gas	665.17	J/mol×K	676.89	Calculated Property
Cp,gas	706.48	J/mol×K	757.67	Calculated Property
Cp,gas	741.15	J/mol×K	838.44	Calculated Property
Cp,gas	769.67	J/mol×K	919.22	Calculated Property
Cp,gas	792.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012895; 0.0000855]	Pa×s	[407.37; 656.41]	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			-1.38050e+01
Coefficient B			2.91330e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			407.37
Temperature range, max.			656.41
η	0.0012895	Pa×s	407.37	Calculated Property
η	0.0008182	Pa×s	435.04	Calculated Property
η	0.0005482	Pa×s	462.71	Calculated Property
η	0.0003843	Pa×s	490.38	Calculated Property
η	0.0002798	Pa×s	518.05	Calculated Property
η	0.0002104	Pa×s	545.73	Calculated Property
η	0.0001626	Pa×s	573.40	Calculated Property
η	0.0001287	Pa×s	601.07	Calculated Property
η	0.0001040	Pa×s	628.74	Calculated Property
η	0.0000855	Pa×s	656.41	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, ethyl 2-ethylphenyl ester.

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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