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

InChI

InChI=1S/C19H28O4/c1-7-19(8-2,17(20)22-12-13(3)4)18(21)23-16-11-9-10-14(5)15(16)6/h9-11,13H,7-8,12H2,1-6H3

InChI Key

FRIUIKLUHCTQSV-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1cccc(C)c1C

Molecular Weight¹

320.43

• 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	[387.29; 893.17]	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			4.97300e+00
Coefficient B			1.63312e+00
Coefficient C			-8.92720e-04
Coefficient D			1.47800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	387.29	J/mol×K	273.00	Calculated Property
Cp,gas	477.55	J/mol×K	353.78	Calculated Property
Cp,gas	558.20	J/mol×K	434.56	Calculated Property
Cp,gas	629.72	J/mol×K	515.33	Calculated Property
Cp,gas	692.58	J/mol×K	596.11	Calculated Property
Cp,gas	747.23	J/mol×K	676.89	Calculated Property
Cp,gas	794.14	J/mol×K	757.67	Calculated Property
Cp,gas	833.80	J/mol×K	838.44	Calculated Property
Cp,gas	866.65	J/mol×K	919.22	Calculated Property
Cp,gas	893.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009816; 0.0000620]	Pa×s	[427.43; 691.85]	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			-1.41513e+01
Coefficient B			3.08818e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			427.43
Temperature range, max.			691.85
η	0.0009816	Pa×s	427.43	Calculated Property
η	0.0006168	Pa×s	456.81	Calculated Property
η	0.0004099	Pa×s	486.19	Calculated Property
η	0.0002854	Pa×s	515.57	Calculated Property
η	0.0002067	Pa×s	544.95	Calculated Property
η	0.0001547	Pa×s	574.33	Calculated Property
η	0.0001190	Pa×s	603.71	Calculated Property
η	0.0000939	Pa×s	633.09	Calculated Property
η	0.0000756	Pa×s	662.47	Calculated Property
η	0.0000620	Pa×s	691.85	Calculated Property

Similar Compounds

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.