Chemical Properties of Diethylmalonic acid, ethyl 3-phenoxybenzyl ester

InChI

InChI=1S/C22H26O5/c1-4-22(5-2,20(23)25-6-3)21(24)26-16-17-11-10-14-19(15-17)27-18-12-8-7-9-13-18/h7-15H,4-6,16H2,1-3H3

InChI Key

MKJDLFQAMIMDLT-UHFFFAOYSA-N

Formula

C22H26O5

SMILES

CCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

370.44

• 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).
• 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, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[406.84; 950.42]	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			-1.87760e+01
Coefficient B			1.82956e+00
Coefficient C			-1.03996e-03
Coefficient D			1.79600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	406.84	J/mol×K	273.00	Calculated Property
Cp,gas	506.27	J/mol×K	353.78	Calculated Property
Cp,gas	594.62	J/mol×K	434.56	Calculated Property
Cp,gas	672.46	J/mol×K	515.33	Calculated Property
Cp,gas	740.34	J/mol×K	596.11	Calculated Property
Cp,gas	798.85	J/mol×K	676.89	Calculated Property
Cp,gas	848.54	J/mol×K	757.67	Calculated Property
Cp,gas	889.99	J/mol×K	838.44	Calculated Property
Cp,gas	923.76	J/mol×K	919.22	Calculated Property
Cp,gas	950.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003616; 0.0000329]	Pa×s	[512.37; 784.45]	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			-1.48333e+01
Coefficient B			3.53961e+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.			512.37
Temperature range, max.			784.45
η	0.0003616	Pa×s	512.37	Calculated Property
η	0.0002461	Pa×s	542.60	Calculated Property
η	0.0001744	Pa×s	572.83	Calculated Property
η	0.0001279	Pa×s	603.06	Calculated Property
η	0.0000967	Pa×s	633.29	Calculated Property
η	0.0000749	Pa×s	663.53	Calculated Property
η	0.0000594	Pa×s	693.76	Calculated Property
η	0.0000480	Pa×s	723.99	Calculated Property
η	0.0000395	Pa×s	754.22	Calculated Property
η	0.0000329	Pa×s	784.45	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, ethyl 3-phenoxybenzyl 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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