Chemical Properties of Diethylmalonic acid, 2-ethylphenyl tetradecyl ester

InChI

InChI=1S/C29H48O4/c1-5-9-10-11-12-13-14-15-16-17-18-21-24-32-27(30)29(7-3,8-4)28(31)33-26-23-20-19-22-25(26)6-2/h19-20,22-23H,5-18,21,24H2,1-4H3

InChI Key

YUKUTPCWHJPNPL-UHFFFAOYSA-N

Formula

C29H48O4

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1CC

Molecular Weight¹

460.69

• 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	[597.19; 1411.59]	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			-1.67340e+01
Coefficient B			2.63668e+00
Coefficient C			-1.50056e-03
Coefficient D			2.92200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	597.19	J/mol×K	273.00	Calculated Property
Cp,gas	741.19	J/mol×K	353.78	Calculated Property
Cp,gas	869.66	J/mol×K	434.56	Calculated Property
Cp,gas	983.52	J/mol×K	515.33	Calculated Property
Cp,gas	1083.69	J/mol×K	596.11	Calculated Property
Cp,gas	1171.10	J/mol×K	676.89	Calculated Property
Cp,gas	1246.67	J/mol×K	757.67	Calculated Property
Cp,gas	1311.33	J/mol×K	838.44	Calculated Property
Cp,gas	1365.99	J/mol×K	919.22	Calculated Property
Cp,gas	1411.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002518; 0.0000156]	Pa×s	[542.61; 865.59]	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			-1.57383e+01
Coefficient B			4.04322e+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.			542.61
Temperature range, max.			865.59
η	0.0002518	Pa×s	542.61	Calculated Property
η	0.0001586	Pa×s	578.50	Calculated Property
η	0.0001054	Pa×s	614.38	Calculated Property
η	0.0000733	Pa×s	650.27	Calculated Property
η	0.0000530	Pa×s	686.16	Calculated Property
η	0.0000395	Pa×s	722.04	Calculated Property
η	0.0000303	Pa×s	757.93	Calculated Property
η	0.0000238	Pa×s	793.82	Calculated Property
η	0.0000191	Pa×s	829.70	Calculated Property
η	0.0000156	Pa×s	865.59	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-ethylphenyl tetradecyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.