Chemical Properties of Diethylmalonic acid, butyl 2,3-dimethylphenyl ester

InChI

InChI=1S/C19H28O4/c1-6-9-13-22-17(20)19(7-2,8-3)18(21)23-16-12-10-11-14(4)15(16)5/h10-12H,6-9,13H2,1-5H3

InChI Key

VPYRUNVYZZHYDN-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C)c1C

Molecular Weight¹

320.42

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[387.60; 892.63]	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			6.65500e+00
Coefficient B			1.62720e+00
Coefficient C			-8.89520e-04
Coefficient D			1.48300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.60	J/mol×K	273.00	Calculated Property
Cp,gas	477.56	J/mol×K	353.78	Calculated Property
Cp,gas	557.96	J/mol×K	434.56	Calculated Property
Cp,gas	629.27	J/mol×K	515.33	Calculated Property
Cp,gas	691.97	J/mol×K	596.11	Calculated Property
Cp,gas	746.52	J/mol×K	676.89	Calculated Property
Cp,gas	793.40	J/mol×K	757.67	Calculated Property
Cp,gas	833.06	J/mol×K	838.44	Calculated Property
Cp,gas	865.98	J/mol×K	919.22	Calculated Property
Cp,gas	892.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008065; 0.0000678]	Pa×s	[442.43; 690.32]	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			-1.40173e+01
Coefficient B			3.05036e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			442.43
Temperature range, max.			690.32
η	0.0008065	Pa×s	442.43	Calculated Property
η	0.0005384	Pa×s	469.97	Calculated Property
η	0.0003759	Pa×s	497.52	Calculated Property
η	0.0002725	Pa×s	525.06	Calculated Property
η	0.0002040	Pa×s	552.60	Calculated Property
η	0.0001570	Pa×s	580.15	Calculated Property
η	0.0001237	Pa×s	607.69	Calculated Property
η	0.0000995	Pa×s	635.23	Calculated Property
η	0.0000815	Pa×s	662.78	Calculated Property
η	0.0000678	Pa×s	690.32	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 2,3-dimethylphenyl 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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