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

InChI

InChI=1S/C18H26O4/c1-6-12-21-16(19)18(7-2,8-3)17(20)22-15-11-9-10-13(4)14(15)5/h9-11H,6-8,12H2,1-5H3

InChI Key

JNYRZXYWJMQSEI-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

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

Molecular Weight¹

306.40

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[366.39; 841.04]	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			7.56400e+00
Coefficient B			1.53220e+00
Coefficient C			-8.35120e-04
Coefficient D			1.36400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.39	J/mol×K	273.00	Calculated Property
Cp,gas	451.14	J/mol×K	353.78	Calculated Property
Cp,gas	526.88	J/mol×K	434.56	Calculated Property
Cp,gas	594.04	J/mol×K	515.33	Calculated Property
Cp,gas	653.06	J/mol×K	596.11	Calculated Property
Cp,gas	704.36	J/mol×K	676.89	Calculated Property
Cp,gas	748.38	J/mol×K	757.67	Calculated Property
Cp,gas	785.54	J/mol×K	838.44	Calculated Property
Cp,gas	816.29	J/mol×K	919.22	Calculated Property
Cp,gas	841.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009058; 0.0000760]	Pa×s	[431.16; 675.20]	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			-1.38631e+01
Coefficient B			2.95620e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			431.16
Temperature range, max.			675.20
η	0.0009058	Pa×s	431.16	Calculated Property
η	0.0006037	Pa×s	458.28	Calculated Property
η	0.0004210	Pa×s	485.39	Calculated Property
η	0.0003051	Pa×s	512.51	Calculated Property
η	0.0002283	Pa×s	539.62	Calculated Property
η	0.0001757	Pa×s	566.74	Calculated Property
η	0.0001384	Pa×s	593.85	Calculated Property
η	0.0001114	Pa×s	620.97	Calculated Property
η	0.0000913	Pa×s	648.09	Calculated Property
η	0.0000760	Pa×s	675.20	Calculated Property

Similar Compounds

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

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.