Chemical Properties of Diethylmalonic acid, pentyl 3-phenoxybenzyl ester

InChI

InChI=1S/C25H32O5/c1-4-7-11-17-28-23(26)25(5-2,6-3)24(27)29-19-20-13-12-16-22(18-20)30-21-14-9-8-10-15-21/h8-10,12-16,18H,4-7,11,17,19H2,1-3H3

InChI Key

WGQMJCWVCDVGSC-UHFFFAOYSA-N

Formula

C25H32O5

SMILES

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

Molecular Weight¹

412.52

• 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).
• 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, 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	[470.48; 1105.20]	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			-2.15030e+01
Coefficient B			2.11456e+00
Coefficient C			-1.20316e-03
Coefficient D			2.15300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	470.48	J/mol×K	273.00	Calculated Property
Cp,gas	585.53	J/mol×K	353.78	Calculated Property
Cp,gas	687.86	J/mol×K	434.56	Calculated Property
Cp,gas	778.14	J/mol×K	515.33	Calculated Property
Cp,gas	857.08	J/mol×K	596.11	Calculated Property
Cp,gas	925.33	J/mol×K	676.89	Calculated Property
Cp,gas	983.59	J/mol×K	757.67	Calculated Property
Cp,gas	1032.53	J/mol×K	838.44	Calculated Property
Cp,gas	1072.84	J/mol×K	919.22	Calculated Property
Cp,gas	1105.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002424; 0.0000218]	Pa×s	[546.18; 832.70]	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			-1.53227e+01
Coefficient B			3.82209e+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.			546.18
Temperature range, max.			832.70
η	0.0002424	Pa×s	546.18	Calculated Property
η	0.0001649	Pa×s	578.02	Calculated Property
η	0.0001168	Pa×s	609.85	Calculated Property
η	0.0000856	Pa×s	641.69	Calculated Property
η	0.0000646	Pa×s	673.52	Calculated Property
η	0.0000500	Pa×s	705.36	Calculated Property
η	0.0000395	Pa×s	737.19	Calculated Property
η	0.0000319	Pa×s	769.03	Calculated Property
η	0.0000262	Pa×s	800.87	Calculated Property
η	0.0000218	Pa×s	832.70	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, pentyl 3-phenoxybenzyl ester.

Sources

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

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