Chemical Properties of Diethylmalonic acid, 3-phenoxybenzyl propyl ester

InChI

InChI=1S/C23H28O5/c1-4-15-26-21(24)23(5-2,6-3)22(25)27-17-18-11-10-14-20(16-18)28-19-12-8-7-9-13-19/h7-14,16H,4-6,15,17H2,1-3H3

InChI Key

QZLIUKIMWKFFFQ-UHFFFAOYSA-N

Formula

C23H28O5

SMILES

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

Molecular Weight¹

384.47

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

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[428.05; 1002.02]	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			-1.96850e+01
Coefficient B			1.92456e+00
Coefficient C			-1.09436e-03
Coefficient D			1.91500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	428.05	J/mol×K	273.00	Calculated Property
Cp,gas	532.69	J/mol×K	353.78	Calculated Property
Cp,gas	625.70	J/mol×K	434.56	Calculated Property
Cp,gas	707.69	J/mol×K	515.33	Calculated Property
Cp,gas	779.25	J/mol×K	596.11	Calculated Property
Cp,gas	841.01	J/mol×K	676.89	Calculated Property
Cp,gas	893.56	J/mol×K	757.67	Calculated Property
Cp,gas	937.50	J/mol×K	838.44	Calculated Property
Cp,gas	973.45	J/mol×K	919.22	Calculated Property
Cp,gas	1002.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003173; 0.0000289]	Pa×s	[523.64; 799.97]	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			-1.49951e+01
Coefficient B			3.63377e+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.			523.64
Temperature range, max.			799.97
η	0.0003173	Pa×s	523.64	Calculated Property
η	0.0002160	Pa×s	554.34	Calculated Property
η	0.0001532	Pa×s	585.05	Calculated Property
η	0.0001124	Pa×s	615.75	Calculated Property
η	0.0000849	Pa×s	646.46	Calculated Property
η	0.0000658	Pa×s	677.16	Calculated Property
η	0.0000521	Pa×s	707.86	Calculated Property
η	0.0000421	Pa×s	738.57	Calculated Property
η	0.0000346	Pa×s	769.27	Calculated Property
η	0.0000289	Pa×s	799.97	Calculated Property

Similar Compounds

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