Chemical Properties of Diethylmalonic acid, 3-methoxyphenyl propyl ester

InChI

InChI=1S/C17H24O5/c1-5-11-21-15(18)17(6-2,7-3)16(19)22-14-10-8-9-13(12-14)20-4/h8-10,12H,5-7,11H2,1-4H3

InChI Key

VRJIJRMCYRNKQN-UHFFFAOYSA-N

Formula

C17H24O5

SMILES

CCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(OC)c1

Molecular Weight¹

308.37

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, 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	[358.03; 810.99]	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			1.96740e+01
Coefficient B			1.43348e+00
Coefficient C			-7.36760e-04
Coefficient D			9.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	358.03	J/mol×K	273.00	Calculated Property
Cp,gas	438.78	J/mol×K	353.78	Calculated Property
Cp,gas	511.23	J/mol×K	434.56	Calculated Property
Cp,gas	575.68	J/mol×K	515.33	Calculated Property
Cp,gas	632.42	J/mol×K	596.11	Calculated Property
Cp,gas	681.75	J/mol×K	676.89	Calculated Property
Cp,gas	723.98	J/mol×K	757.67	Calculated Property
Cp,gas	759.39	J/mol×K	838.44	Calculated Property
Cp,gas	788.30	J/mol×K	919.22	Calculated Property
Cp,gas	810.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008485; 0.0000666]	Pa×s	[429.60; 671.35]	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			-1.41377e+01
Coefficient B			3.03539e+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.			429.60
Temperature range, max.			671.35
η	0.0008485	Pa×s	429.60	Calculated Property
η	0.0005598	Pa×s	456.46	Calculated Property
η	0.0003869	Pa×s	483.32	Calculated Property
η	0.0002780	Pa×s	510.18	Calculated Property
η	0.0002064	Pa×s	537.04	Calculated Property
η	0.0001577	Pa×s	563.90	Calculated Property
η	0.0001235	Pa×s	590.76	Calculated Property
η	0.0000987	Pa×s	617.63	Calculated Property
η	0.0000804	Pa×s	644.49	Calculated Property
η	0.0000666	Pa×s	671.35	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-methoxyphenyl 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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